| CAS Number | 885312-78-7 |
| Catalog Number | AG00IF5M(AGN-PC-0OLRAK) |
| Chemical Name | Ethyl 4-(cyclopentylamino)-3-nitrobenzoate |
| IUPAC Name | ethyl 4-(cyclopentylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C14H18N2O4/c1-2-20-14(17)10-7-8-12(13(9-10)16(18)19)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3 |
| InChI Key | CVVMBCXAIQNESO-UHFFFAOYSA-N |
| MDL Number | MFCD28962783 |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.3037 |
| SMILES | CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1 |
| Synonyms | Ethyl 4-(cyclopentylamino)-3-nitrobenzoate,
885312-78-7,
SCHEMBL15319810,
CVVMBCXAIQNESO-UHFFFAOYSA-N,
ZINC225876132,
Benzoic acid, 4-(cyclopentylamino)-3-nitro-, ethyl ester,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.308g/mol |
| Monoisotopic Mass | 278.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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