AG0095AH

1211443-58-1 | 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

AG0095AH

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CAS Number	1211443-58-1
Catalog Number	AG0095AH(AGN-PC-0WCTX9)
Chemical Name	2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
IUPAC Name	2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
InChI	InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)
InChI Key	LXCZVGKSFJMLRO-UHFFFAOYSA-N
MDL Number	MFCD29041989
Molecular Formula	C12H12ClN3O2
Molecular Weight	265.6956
SMILES	ClC=1N=CC2=C(N1)N(C(=C2)C(=O)O)C2CCCC2
Synonyms	2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 1211443-58-1, SCHEMBL1991171, KS-00000LCT, LXCZVGKSFJMLRO-UHFFFAOYSA-N, BCP18168, CS-B1522, MFCD29041989, AKOS027335882, ZINC117722946, AK337324, DS-12514, 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-cyclopentyl-,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.062g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.697g/mol
Monoisotopic Mass	265.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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