| CAS Number | 1098383-88-0 |
| Catalog Number | AG01AJXV |
| Chemical Name | 3-[(Pyrazin-2-yl)amino]benzoic acid |
| IUPAC Name | 3-(pyrazin-2-ylamino)benzoic acid |
| InChI | InChI=1S/C11H9N3O2/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h1-7H,(H,13,14)(H,15,16) |
| InChI Key | ZHUOYCJZFXGGGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11649237 |
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.2081 |
| SMILES | OC(C1=CC(NC2=NC=CN=C2)=CC=C1)=O |
| Synonyms | 3-[(pyrazin-2-yl)amino]benzoic acid,
1098383-88-0,
3-(pyrazin-2-ylamino)benzoic acid,
ZINC37453599,
AKOS009374791,
MCULE-9960863470,
NE37054,
EN300-82205,
Z1250132651,
|
| Complexity | 247 |
| 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 | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number