AG009405

1203498-99-0 | 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

AG009405

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CAS Number	1203498-99-0
Catalog Number	AG009405(AGN-PC-07R0KM)
Chemical Name	5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
IUPAC Name	5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H5ClN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13)
InChI Key	TUVOLKRSOFVJFQ-UHFFFAOYSA-N
MDL Number	MFCD13563088
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	OC(=O)C1=CNC2=C1C=C(Cl)C=N2
Synonyms	5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1203498-99-0, AK-67083, CTK7I6378, KS-00000OAO, DTXSID10673623, AC1Q7414, ANW-71849, FCH924261, MFCD13563088, ZINC39961352, AKOS006336760, FS-3722, PB19376, 5-Chloro-7-azaindole-3-carboxylic acid, AB0032729, AJ-101536, AX8207619, TR-070673, 4CH-009973, ST24029436, X6130, A-6180, 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid, AldrichCPR, C8H5ClN2O2, TUVOLKRSOFVJFQ-UHFFFAOYSA-N, 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylicacid,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.59g/mol
Monoisotopic Mass	196.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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