200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1258850-50-8
1258850-50-8 | 2-Pyrazinecarboxylic acid, 6-(4-chlorophenyl)-
CAS No: 1258850-50-8 Catalog No: AG000OX1 MDL No:MFCD25957252
Product Description
Catalog Number:
AG000OX1
Chemical Name:
2-Pyrazinecarboxylic acid, 6-(4-chlorophenyl)-
CAS Number:
1258850-50-8
Molecular Formula:
C11H7ClN2O2
Molecular Weight:
234.6385
MDL Number:
MFCD25957252
IUPAC Name:
6-(4-chlorophenyl)pyrazine-2-carboxylic acid
InChI:
InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-13-6-10(14-9)11(15)16/h1-6H,(H,15,16)
InChI Key:
BRONFCRDDFHGKC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cncc(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:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.