AG003DWK

885698-70-4 | 1-Acetyl-4-bromo-1H-indazole

AG003DWK

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CAS Number	885698-70-4
Catalog Number	AG003DWK(AGN-PC-07CN33)
Chemical Name	1-Acetyl-4-bromo-1H-indazole
IUPAC Name	1-(4-bromoindazol-1-yl)ethanone
InChI	InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
InChI Key	MZBRBDKGAIDUPD-UHFFFAOYSA-N
MDL Number	MFCD12198857
Molecular Formula	C9H7BrN2O
Molecular Weight	239.0687
SMILES	CC(=O)N1C2C(C=N1)=C(Br)C=CC=2
Synonyms	1-acetyl-4-bromo-1H-indazole, 885698-70-4, 1-(4-bromo-1H-indazol-1-yl)ethanone, 1-(4-BROMOINDAZOL-1-YL)ETHANONE, 1H-Indazole, 1-acetyl-4-bromo-, SCHEMBL190246, CTK5I8641, KS-00000DHD, DTXSID00670227, MZBRBDKGAIDUPD-UHFFFAOYSA-N, ZXBA000727, 1-(4-bromo-indazol-1-yl)-ethanone, MFCD12198857, ZINC38540325, AKOS015960328, FCH1343027, TRA0058419, AJ-96379, AS-31907, CJ-19522, EN000115, SY005435, 1-(4-Bromo-1H-indazol-1-yl)ethan-1-one, AX8173726, DB-014459, TC-306640, FT-0716603, V8647, Z-3926, MFCD12198857 (97+%), C9H7BrN2O, 864845-15-8,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.072g/mol
Monoisotopic Mass	237.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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