AG0000HB

1000341-67-2 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-chloro-

AG0000HB

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CAS Number	1000341-67-2
Catalog Number	AG0000HB(AGN-PC-0WBRUU)
Chemical Name	1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-chloro-
IUPAC Name	6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H5ClN2O2/c9-7-1-6-4(2-11-7)5(3-10-6)8(12)13/h1-3,10H,(H,12,13)
InChI Key	RMSBIZUSTXPPBW-UHFFFAOYSA-N
MDL Number	MFCD09749984
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	O=C(C1=CNC2=C1C=NC(Cl)=C2)O
Synonyms	1000341-67-2, 6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-Chloro-5-azaindole-3-carboxylic acid, 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-chloro-, SCHEMBL12780234, DTXSID10646771, CC-807, FCH869674, MFCD09749984, ZINC14986200, AKOS006326688, SB12371, AJ-66551, AK138351, AS-42528, AX8259954, W-1094,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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