Home Halogens 2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

CAS No.:
1092300-50-9
Catalog Number:
AG01BAIO
Molecular Formula:
C11H7ClN2O2
Molecular Weight:
234.6385
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Product Description
Catalog Number:
AG01BAIO
Chemical Name:
2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CAS Number:
1092300-50-9
Molecular Formula:
C11H7ClN2O2
Molecular Weight:
234.6385
MDL Number:
MFCD11519889
IUPAC Name:
2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)10-13-6-5-9(14-10)11(15)16/h1-6H,(H,15,16)
InChI Key:
NSZKRXBJKXWLMN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nccc(n1)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.639g/mol
Monoisotopic Mass:
234.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties