This is a demo store. No orders will be fulfilled.
Halobenzoic acids and derivatives
Description:
Benzoic acids or derivatives carrying a halogen atom on the benzene ring.
-
2-Trifluoromethoxy-5-fluorobenzoic acidCas Number: 1092460-83-7 Compound CID: 54772407Formula: C8H4F4O3 Molecular Weight: 224.11IUPAC Name: 5-fluoro-2-(trifluoromethoxy)benzoic acidSMILES: C1=CC(=C(C=C1F)C(=O)O)OC(F)(F)FInChIKey: JRQMLAPRSGFPRF-UHFFFAOYSA-NInChI: InChI=1S/C8H4F4O3/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14) -
2-Iodo-3，4-dimethylbenzoic acidCas Number: 129833-31-4 Compound CID: 11196635Formula: C9H9IO2 Molecular Weight: 276.08IUPAC Name: 2-iodo-3,4-dimethylbenzoic acidSMILES: CC1=C(C(=C(C=C1)C(=O)O)I)CInChIKey: IWMDAMFUDTUSOD-UHFFFAOYSA-NInChI: InChI=1S/C9H9IO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3,(H,11,12)
-
2-Iodo-4-methylbenzoic acidCas Number: 1829-21-6 Compound CID: 4285392Formula: C8H7IO2 Molecular Weight: 262.04IUPAC Name: 2-iodo-4-methylbenzoic acidSMILES: CC1=CC(=C(C=C1)C(=O)O)IInChIKey: WNVUYAMRIXEZAT-UHFFFAOYSA-NInChI: InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
-
2-Iodo-6-methyl-benzoic acidCas Number: 54811-50-6 Compound CID: 9856531Formula: C8H7IO2 Molecular Weight: 262.04IUPAC Name: 2-iodo-6-methylbenzoic acidSMILES: CC1=C(C(=CC=C1)I)C(=O)OInChIKey: LLVYMVJLXNNRND-UHFFFAOYSA-NInChI: InChI=1S/C8H7IO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
-
2-Chloro-4-hydroxybenzamideCas Number: 1046818-83-0 Compound CID: 18474263Formula: C7H6ClNO2 Molecular Weight: 171.58IUPAC Name: 2-chloro-4-hydroxybenzamideSMILES: C1=CC(=C(C=C1O)Cl)C(=O)NInChIKey: YXGBFUHYIISYSS-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3,10H,(H2,9,11)
-
2-Chloro-4-fluoro-5-iodobenzoic acidCas Number: 264927-52-8 Compound CID: 22996169Formula: C7H3ClFIO2 Molecular Weight: 300.45IUPAC Name: 2-chloro-4-fluoro-5-iodobenzoic acidSMILES: C1=C(C(=CC(=C1I)F)Cl)C(=O)OInChIKey: PXQFJWCRWMFMEG-UHFFFAOYSA-NInChI: InChI=1S/C7H3ClFIO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
-
2-Chloro-5-cyanobenzoic acidCas Number: 89891-83-8 Compound CID: 14203095Formula: C8H4ClNO2 Molecular Weight: 181.57IUPAC Name: 2-chloro-5-cyanobenzoic acidSMILES: C1=CC(=C(C=C1C#N)C(=O)O)ClInChIKey: OZNRJPYVSBAJLX-UHFFFAOYSA-NInChI: InChI=1S/C8H4ClNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
-
2-Chloro-5-fluoro-4-methyl-benzoic acidCas Number: 103877-61-8 Compound CID: 13657438Formula: C8H6O2FCl Molecular Weight: 188.58IUPAC Name: 2-chloro-5-fluoro-4-methylbenzoic acidSMILES: CC1=CC(=C(C=C1F)C(=O)O)ClInChIKey: WUQWRURRTPWWGH-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
-
2-Bromo-4-chlorobenzamideCas Number: 131002-01-2 Compound CID: 15111014Formula: C7H5BrClNO Molecular Weight: 234.48IUPAC Name: 2-bromo-4-chlorobenzamideSMILES: C1=CC(=C(C=C1Cl)Br)C(=O)NInChIKey: HAVNOBBLFYXBDL-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrClNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
-
2-Bromo-3，6-difluorobenzoic acidCas Number: 124244-65-1 Compound CID: 14491597Formula: C7H3BrF2O2 Molecular Weight: 237IUPAC Name: 2-bromo-3,6-difluorobenzoic acidSMILES: C1=CC(=C(C(=C1F)C(=O)O)Br)FInChIKey: ZLBFRHCWALNQIJ-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrF2O2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12)
-
2-Bromo-4-fluoro-5-methylbenzoic acidCas Number: 1003709-39-4 Compound CID: 45073546Formula: C8H6BrFO2 Molecular Weight: 233.03IUPAC Name: 2-bromo-4-fluoro-5-methylbenzoic acidSMILES: CC1=CC(=C(C=C1F)Br)C(=O)OInChIKey: UVSGTNJGIMPLAM-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H,11,12)
-
2-Bromo-4-fluoro-N-methylbenzamideCas Number: 923138-87-8 Compound CID: 17403024Formula: C8H7BrFNO Molecular Weight: 232.05IUPAC Name: 2-bromo-4-fluoro-N-methylbenzamideSMILES: CNC(=O)C1=C(C=C(C=C1)F)BrInChIKey: FLTQCBCOHJWXTO-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12)
