AG000HZR

1190321-68-6 | 4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

AG000HZR

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CAS Number	1190321-68-6
Catalog Number	AG000HZR(AGN-PC-0WD7OP)
Chemical Name	4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
IUPAC Name	4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
InChI	InChI=1S/C8H5ClN2O2/c9-5-3-6(8(12)13)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)(H,12,13)
InChI Key	YCRQKZFBXVQIDE-UHFFFAOYSA-N
MDL Number	MFCD12962667
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	O=C(C1=CC(Cl)=C2C(NC=C2)=N1)O
Synonyms	1190321-68-6, 4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-CHLORO-7-AZAINDOLE-6-CARBOXYLIC ACID, MFCD12962667, ZINC44700206, AKOS030628586, SB14234, AS-53101, CS-0050945, W-1750,

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	1.8

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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