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6‐bromo‐3,5‐dichloro‐1‐methyl‐1H‐indazole - 97%, high purity , CAS No.1860028-28-9
Basic Description
Synonyms
6-Bromo-3,5-dichloro-1-methyl-1H-indazole | 1860028-28-9 | 6-bromo-3,5-dichloro-1-methylindazole | 6-bromo-3,5-dichloro-1-methyl-indazole | 6(c)\\bromo(c)\\3,5(c)\\dichloro(c)\\1(c)\\methyl(c)\\1H(c)\\indazole | DTXSID501260351 | MFCD30146465 | AKOS030628638 | PB41511 | AS
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Benzenoids Pyrazolines Heteroaromatic compounds Azoles Vinyl chlorides Vinyl bromides Hydrazones Chloroalkenes Bromoalkenes Azacyclic compounds Organopnictogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazoline - Azole - Azacycle - Chloroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl chloride - Vinyl bromide - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-bromo-3,5-dichloro-1-methylindazole
INCHI
InChI=1S/C8H5BrCl2N2/c1-13-7-3-5(9)6(10)2-4(7)8(11)12-13/h2-3H,1H3
InChIKey
FUOIRZVLSBPWJV-UHFFFAOYSA-N
Smiles
CN1C2=CC(=C(C=C2C(=N1)Cl)Cl)Br
Isomeric SMILES
CN1C2=CC(=C(C=C2C(=N1)Cl)Cl)Br
PubChem CID
122170265
Molecular Weight
279.949
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
279.950 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
277.901 Da
Monoisotopic Mass
277.901 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
205.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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