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117186-21-7 | Imidazo[1,2-c]pyrimidine-2-carboxylic acid, 7-chloro-5-methyl-
CAS No: 117186-21-7 Catalog No: AG000DVM MDL No:
Product Description
Catalog Number:
AG000DVM
Chemical Name:
Imidazo[1,2-c]pyrimidine-2-carboxylic acid, 7-chloro-5-methyl-
CAS Number:
117186-21-7
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
IUPAC Name:
7-chloro-5-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H6ClN3O2/c1-4-10-6(9)2-7-11-5(8(13)14)3-12(4)7/h2-3H,1H3,(H,13,14)
InChI Key:
XESHUXVEPZGKHS-UHFFFAOYSA-N
SMILES:
Clc1cc2nc(cn2c(n1)C)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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