AG00BE4K

256935-86-1 | 6-Chloro-1H-indole-5-carboxylic acid

AG00BE4K

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CAS Number	256935-86-1
Catalog Number	AG00BE4K(AGN-PC-03T7O3)
Chemical Name	6-Chloro-1H-indole-5-carboxylic acid
IUPAC Name	6-chloro-1H-indole-5-carboxylic acid
InChI	InChI=1S/C9H6ClNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13)
InChI Key	PNQNYTQRGUBNTG-UHFFFAOYSA-N
MDL Number	MFCD12828093
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	OC(=O)C1=CC2=C(NC=C2)C=C1Cl
Synonyms	6-chloro-1H-indole-5-carboxylic acid, 256935-86-1, 6-chloroindole-5-carboxylic acid, 1H-Indole-5-carboxylicacid, 6-chloro-, 1H-Indole-5-carboxylic acid, 6-chloro-, W-206971, 6-chloro-indole-5-carboxylic acid, PubChem20913, SCHEMBL4513173, CTK1A1465, 6-chloro-5-indolecarboxylic acid, DTXSID40626425, PNQNYTQRGUBNTG-UHFFFAOYSA-N, BCP26528, MFCD12828093, ZINC19873030, AKOS015969510, FCH1159192, QC-9758, RP04021, SB14733, VI30328, ACM256935861, AJ-75597, AK109679, AM803592, SC-50986, AB0040806, AX8224192, FT-0757113, Y8463, C9H6ClNO2, 6-Chloro-1H-indole-5-carboxylicacid,

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

Certificate of Analysis

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