AG00ELPP

588688-45-3 | 7-CHLORO-4-INDOLE CARBOXYLIC ACID

AG00ELPP

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CAS Number	588688-45-3
Catalog Number	AG00ELPP(AGN-PC-09SIV9)
Chemical Name	7-CHLORO-4-INDOLE CARBOXYLIC ACID
IUPAC Name	7-chloro-1H-indole-4-carboxylic acid
InChI	InChI=1S/C9H6ClNO2/c10-7-2-1-6(9(12)13)5-3-4-11-8(5)7/h1-4,11H,(H,12,13)
InChI Key	FKMNAVDJNRMGHP-UHFFFAOYSA-N
MDL Number	MFCD11845605
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	O=C(C1=CC=C(Cl)C2=C1C=CN2)O
Synonyms	7-Chloro-1H-indole-4-carboxylic acid, 588688-45-3, 7-Chloro-4-indole carboxylic acid, AK119778, 7-Chloro-indole-4-carboxylic acid, DTXSID40694583, KS-00000R2E, 8738AB, MFCD11845605, ZINC44184838, AKOS016010783, DS-5763, FCH1175431, SB15245, QC-10742, AB0098245, AJ-109488, AX8245194, CS-0039070, FT-0766810, W-2857, C9H6ClNO2, 1H-Indole-4-carboxylic acid, 7-chloro-,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.009g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.602g/mol
Monoisotopic Mass	195.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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