| CAS Number | 1894988-20-5 |
| Catalog Number | AG00ASX3(AGN-PC-0WNGI1) |
| Chemical Name | Ethyl 5-nitropyrimidine-2-carboxylate |
| IUPAC Name | ethyl 5-nitropyrimidine-2-carboxylate |
| InChI | InChI=1S/C7H7N3O4/c1-2-14-7(11)6-8-3-5(4-9-6)10(12)13/h3-4H,2H2,1H3 |
| InChI Key | AJIMLVFVRUXVEG-UHFFFAOYSA-N |
| MDL Number | MFCD30475679 |
| Molecular Formula | C7H7N3O4 |
| Molecular Weight | 197.1482 |
| SMILES | CCOC(=O)C1=NC=C(C=N1)[N+]([O-])=O |
| Synonyms | ethyl 5-nitropyrimidine-2-carboxylate,
1894988-20-5,
SCHEMBL17674134,
KS-00000TZK,
MFCD30475679,
AKOS030632891,
ZINC602993677,
ACN-045372,
AK554557,
DS-19639,
CS-0043188,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.15g/mol |
| Monoisotopic Mass | 197.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number