| CAS Number | 944903-13-3 |
| Catalog Number | AG00II9G(AGN-PC-0WNGU3) |
| Chemical Name | 2-(5-chloropyrimidin-2-yl)acetic acid |
| IUPAC Name | 2-(5-chloropyrimidin-2-yl)acetic acid |
| InChI | InChI=1S/C6H5ClN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11) |
| InChI Key | SDIHDHLHARYHAH-UHFFFAOYSA-N |
| MDL Number | MFCD10697168 |
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.5691 |
| SMILES | O=C(O)CC1=NC=C(Cl)C=N1 |
| Synonyms | 944903-13-3,
2-(5-CHLOROPYRIMIDIN-2-YL)ACETIC ACID,
(5-CHLOROPYRIMIDIN-2-YL)ACETIC ACID,
2-Pyrimidineacetic acid, 5-chloro-,
MFCD10697168,
ZINC95642192,
AKOS006302496,
AB59161,
KS-0000061A,
AS-50720,
CS-0053154,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.568g/mol |
| Monoisotopic Mass | 172.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number