| CAS Number | 234750-98-2 |
| Catalog Number | AG00BIHD(AGN-PC-071563) |
| Chemical Name | Methyl 4-(cyclopentylamino)-3-nitrobenzoate |
| IUPAC Name | methyl 4-(cyclopentylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C13H16N2O4/c1-19-13(16)9-6-7-11(12(8-9)15(17)18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3 |
| InChI Key | LEGFARQJQCCUBI-UHFFFAOYSA-N |
| MDL Number | MFCD14281680 |
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.2771 |
| SMILES | COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1 |
| Synonyms | Methyl 4-(cyclopentylamino)-3-nitrobenzoate,
234750-98-2,
ALBB-019476,
ZX-AN035185,
MFCD14281680,
ZINC22797886,
AKOS004911937,
CJ-17381,
V4565,
3-Nitro-4-(cyclopentylamino)benzoic acid methyl ester,
Benzoic acid, 4-(cyclopentylamino)-3-nitro-, methyl ester,
C13H16N2O4,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.281g/mol |
| Monoisotopic Mass | 264.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number