AG00IIY3

952959-39-6 | 1H-​Indole-​2-​carboxylic acid, 7-​bromo-​5-​chloro

AG00IIY3

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CAS Number	952959-39-6
Catalog Number	AG00IIY3(AGN-PC-0WAJAY)
Chemical Name	1H-​Indole-​2-​carboxylic acid, 7-​bromo-​5-​chloro
IUPAC Name	7-bromo-5-chloro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H5BrClNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14)
InChI Key	GYDTYDQJHCQVAW-UHFFFAOYSA-N
MDL Number	MFCD08752934
Molecular Formula	C9H5BrClNO2
Molecular Weight	274.4985
SMILES	O=C(C(N1)=CC2=C1C(Br)=CC(Cl)=C2)O
Synonyms	7-bromo-5-chloro-1H-indole-2-carboxylic acid, 952959-39-6, AK305178, ICA-0184, ZX-BK002572, BBL021800, KM5159, MFCD08752934, STK894517, ZINC12404828, AKOS005144153, FCH1390120, MCULE-9695295149, DS-12102, SY103697, CS-0041232, MFCD08752934 (95%), 1H-Indole-2-carboxylic acid, 7-bromo-5-chloro,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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