| CAS Number | 1052714-41-6 |
| Catalog Number | AG009K6W |
| Chemical Name | 5-AMino-2-chloropyriMidine-4-carboxylic acid |
| IUPAC Name | 5-amino-2-chloropyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C5H4ClN3O2/c6-5-8-1-2(7)3(9-5)4(10)11/h1H,7H2,(H,10,11) |
| InChI Key | YFZBEXPQXKNNGJ-UHFFFAOYSA-N |
| MDL Number | MFCD20040107 |
| Molecular Formula | C5H4ClN3O2 |
| Molecular Weight | 173.5572 |
| SMILES | Clc1ncc(c(n1)C(=O)O)N |
| Synonyms | 5-amino-2-chloropyrimidine-4-carboxylic acid,
1052714-41-6,
4-Pyrimidinecarboxylicacid,5-amino-2-chloro-,
SCHEMBL2519365,
YFZBEXPQXKNNGJ-UHFFFAOYSA-N,
MFCD20040107,
AKOS030624554,
ZINC144544129,
FCH1315242,
AK673025,
AX8324626,
CS-0062149,
4-Pyrimidinecarboxylic acid, 5-amino-2-chloro-,
5-Amino-2-chloro-4-pyrimidinecarboxylic acid, AldrichCPR,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.556g/mol |
| Monoisotopic Mass | 172.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number