| CAS Number | 216959-98-7 |
| Catalog Number | AG00C3HJ(AGN-PC-03SS6U) |
| Chemical Name | 4-(2-Aminopyrimidin-4-yl)benzoic acid |
| IUPAC Name | 4-(2-aminopyrimidin-4-yl)benzoic acid |
| InChI | InChI=1S/C11H9N3O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14) |
| InChI Key | STTNRXJTCMXMSX-UHFFFAOYSA-N |
| MDL Number | MFCD03407445 |
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.2081 |
| SMILES | Nc1nccc(n1)c2ccc(cc2)C(=O)O |
| Synonyms | 4-(2-Aminopyrimidin-4-yl)benzoic acid,
216959-98-7,
4-(2-amino-4-pyrimidinyl)benzoic acid,
SCHEMBL3812954,
CTK7I7836,
DTXSID10627085,
STTNRXJTCMXMSX-UHFFFAOYSA-N,
KS-000029WW,
ZX-AT001808,
MFCD03407445,
SBB095103,
ZINC12956716,
AKOS026675464,
PS-3302,
OR103635,
4-(2-aminopyrimidin-4-yl)benzoic acid, AldrichCPR,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.212g/mol |
| Monoisotopic Mass | 215.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number