AG001CAS

1403766-98-2 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 7-chloro-, ethyl ester

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CAS Number	1403766-98-2
Catalog Number	AG001CAS(AGN-PC-0WBS6O)
Chemical Name	1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 7-chloro-, ethyl ester
IUPAC Name	ethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI	InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-5-7-9(13-8)6(11)3-4-12-7/h3-5,13H,2H2,1H3
InChI Key	IQAJNQSVNXHPCE-UHFFFAOYSA-N
MDL Number	MFCD23105812
Molecular Formula	C10H9ClN2O2
Molecular Weight	224.6437
SMILES	ClC1=C2C(=NC=C1)C=C(N2)C(=O)OCC
Synonyms	ethyl 7-chloro-1h-pyrrolo[3,2-b]pyridine-2-carboxylate, 1403766-98-2, Ethyl 7-chloro-1H-pyrrolo-[3,2-b]pyridine-2-carboxylate, 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 7-chloro-, ethyl ester, AMPD00024, MFCD23105812, ZINC95644241, AKOS025291167, AM84927, PB36361, SB19954, KS-000006O8, AK171547, AS-34325, AB0050066, CS-0036887, ethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-, Carboxylate, 6-((6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)quinoline,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.644g/mol
Monoisotopic Mass	224.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^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

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