| CAS Number | 1467047-28-4 |
| Catalog Number | AG00HXIL |
| Chemical Name | Ethyl 4-(cyclopropylamino)-3-nitrobenzoate |
| IUPAC Name | ethyl 4-(cyclopropylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C12H14N2O4/c1-2-18-12(15)8-3-6-10(13-9-4-5-9)11(7-8)14(16)17/h3,6-7,9,13H,2,4-5H2,1H3 |
| InChI Key | XPGCSHFQVYOFRG-UHFFFAOYSA-N |
| MDL Number | MFCD14635824 |
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.2506 |
| SMILES | CCOC(C1=CC([N+]([O-])=O)=C(NC2CC2)C=C1)=O |
| Synonyms | ETHYL 4-(CYCLOPROPYLAMINO)-3-NITROBENZOATE,
1467047-28-4,
SCHEMBL15321361,
XPGCSHFQVYOFRG-UHFFFAOYSA-N,
KM5741,
ZINC95496133,
Y2923,
C12H14N2O4,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.254g/mol |
| Monoisotopic Mass | 250.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number