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Organohalogen compounds
Description:
Organic compounds containing a bond between a carbon atom and a halogen atom (At, F, Cl, Br, I).
Ancestors:
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2-Cyclopropyl-5-iodo-1H-imidazoleCas Number: 761426-65-7 Compound CID: 21985392Formula: C6H7IN2 Molecular Weight: 234.04IUPAC Name: 2-cyclopropyl-5-iodo-1H-imidazoleSMILES: C1CC1C2=NC=C(N2)IInChIKey: BUGIVUAOFKVFNR-UHFFFAOYSA-NInChI: InChI=1S/C6H7IN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9) -
2-Chloro-5-(trifluoromethyl)-1，3，4-thiadiazoleCas Number: 53645-98-0 Compound CID: 13246789Formula: C3ClF3N2S Molecular Weight: 188.56IUPAC Name: 2-chloro-5-(trifluoromethyl)-1,3,4-thiadiazoleSMILES: C1(=NN=C(S1)Cl)C(F)(F)FInChIKey: JXKUSPGMGMPURG-UHFFFAOYSA-NInChI: InChI=1S/C3ClF3N2S/c4-2-9-8-1(10-2)3(5,6)7
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2-Chloro-5-methyl-1，3，4-thiadiazoleCas Number: 53645-94-6 Compound CID: 12956469Formula: C3H3ClN2S Molecular Weight: 134.59IUPAC Name: 2-chloro-5-methyl-1,3,4-thiadiazoleSMILES: CC1=NN=C(S1)ClInChIKey: IPLGMBJDQYRJLJ-UHFFFAOYSA-NInChI: InChI=1S/C3H3ClN2S/c1-2-5-6-3(4)7-2/h1H3
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2-Chloro-4，5，6，7-tetrahydrobenzo[d]thiazoleCas Number: 26846-98-0 Compound CID: 9812888Formula: C7H8ClNS Molecular Weight: 173.67IUPAC Name: 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazoleSMILES: C1CCC2=C(C1)N=C(S2)ClInChIKey: LDJUCUDNAZQFIZ-UHFFFAOYSA-NInChI: InChI=1S/C7H8ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2
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1，4-Bis(bromomethyl)cyclohexaneCas Number: 35541-75-4 Compound CID: 3613545Formula: C8H14Br2 Molecular Weight: 270.01IUPAC Name: 1,4-bis(bromomethyl)cyclohexaneSMILES: C1CC(CCC1CBr)CBrInChIKey: MYALOPJJAPLQSJ-UHFFFAOYSA-NInChI: InChI=1S/C8H14Br2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2
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1-butyl-2-chloro-1H-imidazoleCas Number: 1053655-55-2 Compound CID: 37818425Formula: C7H11ClN2 Molecular Weight: 158.63IUPAC Name: 1-butyl-2-chloroimidazoleSMILES: CCCCN1C=CN=C1ClInChIKey: SLDYIIIPSRKUPK-UHFFFAOYSA-NInChI: InChI=1S/C7H11ClN2/c1-2-3-5-10-6-4-9-7(10)8/h4,6H,2-3,5H2,1H3
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12-Bromododec-1-eneCas Number: 99828-63-4 Compound CID: 10988612Formula: C12H23Br Molecular Weight: 247.21IUPAC Name: 12-bromododec-1-eneSMILES: C=CCCCCCCCCCCBrInChIKey: ZIGYFXNWSWECFA-UHFFFAOYSA-NInChI: InChI=1S/C12H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2H,1,3-12H2
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1-IodotetradecaneCas Number: 19218-94-1 Compound CID: 29507Formula: C14H29I Molecular Weight: 324.28IUPAC Name: 1-iodotetradecaneSMILES: CCCCCCCCCCCCCCIInChIKey: FHQCFGPKNSSISL-UHFFFAOYSA-NInChI: InChI=1S/C14H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
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1-Iodo-3，3-dimethylbutaneCas Number: 15672-88-5 Compound CID: 14824899Formula: C6H13I Molecular Weight: 212.07IUPAC Name: 1-iodo-3,3-dimethylbutaneSMILES: CC(C)(C)CCIInChIKey: KNKFLSQIGYRZAQ-UHFFFAOYSA-NInChI: InChI=1S/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
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1-Bromocyclopent-1-eneCas Number: 1192-04-7 Compound CID: 10964660Formula: C5H7Br Molecular Weight: 147.02IUPAC Name: 1-bromocyclopenteneSMILES: C1CC=C(C1)BrInChIKey: XNHUZSZMXSLTQL-UHFFFAOYSA-NInChI: InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h3H,1-2,4H2
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1-(Perfluorohexyl)octaneCas Number: 133331-77-8 Compound CID: 10477896Formula: C14H17F13 Molecular Weight: 432.26IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecaneSMILES: CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: WRYIIOKOQSICTB-UHFFFAOYSA-NInChI: InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradecane | Perfluorohexyloctane
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1-Acetoxy-1，2-benziodoxol-3-(1H)-oneCas Number: 1829-26-1 Compound CID: 5231155Formula: C9H7IO4 Molecular Weight: 306.05IUPAC Name: (3-oxo-1λ3,2-benziodoxol-1-yl) acetateSMILES: CC(=O)OI1C2=CC=CC=C2C(=O)O1InChIKey: XPGGCSZYAKTCKR-UHFFFAOYSA-NInChI: InChI=1S/C9H7IO4/c1-6(11)13-10-8-5-3-2-4-7(8)9(12)14-10/h2-5H,1H3
