AG00BYO1

383132-31-8 | 5-Bromo-7-chloro-1H-indole-2-carboxylic acid

AG00BYO1

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CAS Number	383132-31-8
Catalog Number	AG00BYO1(AGN-PC-0WAMJQ)
Chemical Name	5-Bromo-7-chloro-1H-indole-2-carboxylic acid
IUPAC Name	5-bromo-7-chloro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H5BrClNO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
InChI Key	KNMMKGRZJTYUGJ-UHFFFAOYSA-N
MDL Number	MFCD02664433
Molecular Formula	C9H5BrClNO2
Molecular Weight	274.4985
SMILES	O=C(C(N1)=CC2=C1C(Cl)=CC(Br)=C2)O
Synonyms	5-bromo-7-chloro-1H-indole-2-carboxylic Acid, 383132-31-8, 5-bromo-7-chloroindole-2-carboxylic acid, AK354080, AC1MMWWF, SCHEMBL3543391, KNMMKGRZJTYUGJ-UHFFFAOYSA-N, ICA-0023, KS-00000D0Y, ZINC2582697, ZX-BK000893, BBL020815, MFCD02664433, STK893505, AKOS001476483, FCH1334297, MCULE-7703013201, 5-Bromo-7-chloroindole-2-carboxylicAcid, DS-12644, SY040478, MFCD02664433 (95%), K-8371, CID3292932,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.919g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.498g/mol
Monoisotopic Mass	272.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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