| CAS Number | 1159822-45-3 |
| Catalog Number | AG00HD5Z(AGN-PC-0WQYCY) |
| Chemical Name | 2-(6-Chloropyrazin-2-ylamino)acetic acid |
| IUPAC Name | 2-[(6-chloropyrazin-2-yl)amino]acetic acid |
| InChI | InChI=1S/C6H6ClN3O2/c7-4-1-8-2-5(10-4)9-3-6(11)12/h1-2H,3H2,(H,9,10)(H,11,12) |
| InChI Key | LXNXFXLBTPXCNM-UHFFFAOYSA-N |
| MDL Number | MFCD12068355 |
| Molecular Formula | C6H6ClN3O2 |
| Molecular Weight | 187.5837 |
| SMILES | OC(=O)CNC1=NC(Cl)=CN=C1 |
| Synonyms | 2-(6-Chloropyrazin-2-ylamino)acetic acid,
1159822-45-3,
2-((6-Chloropyrazin-2-yl)amino)acetic acid,
2-[(6-chloropyrazin-2-yl)amino]acetic acid,
DTXSID20679459,
N-(6-Chloropyrazin-2-yl)glycine,
MFCD12068353,
ZINC44137199,
AKOS006344062,
(6-chloropyrazin-2-ylamino)acetic acid,
AS-31387,
(6-chloro-pyrazin-2-ylamino)-acetic acid,
A-2542,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.583g/mol |
| Monoisotopic Mass | 187.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number