| CAS Number | 928712-83-8 |
| Catalog Number | AG00GSB7 |
| Chemical Name | 2-(2-Chlorophenyl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 2-(2-chlorophenyl)pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H7ClN2O2/c12-9-4-2-1-3-8(9)10-13-5-7(6-14-10)11(15)16/h1-6H,(H,15,16) |
| InChI Key | IVAPUCSVKRFGEQ-UHFFFAOYSA-N |
| MDL Number | MFCD08753250 |
| Molecular Formula | C11H7ClN2O2 |
| Molecular Weight | 234.6385 |
| SMILES | OC(C1=CN=C(C2=C(Cl)C=CC=C2)N=C1)=O |
| Synonyms | 2-(2-CHLOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID,
928712-83-8,
ASISCHEM C63558,
DTXSID20589766,
ZINC8730971,
MFCD08753250,
AKOS000283964,
AS-41515,
Z274575504,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number