| CAS Number | 119137-03-0 |
| Catalog Number | AG008TRE(AGN-PC-03HKNX) |
| Chemical Name | Carbamic acid, cyclohexyl-, (2-nitrophenyl)methyl ester (9CI) |
| IUPAC Name | (2-nitrophenyl)methyl N-cyclohexylcarbamate |
| InChI | InChI=1S/C14H18N2O4/c17-14(15-12-7-2-1-3-8-12)20-10-11-6-4-5-9-13(11)16(18)19/h4-6,9,12H,1-3,7-8,10H2,(H,15,17) |
| InChI Key | NJMCHQONLVUNAM-UHFFFAOYSA-N |
| MDL Number | MFCD22376660 |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.3037 |
| SMILES | [O-][N+](=O)C1=C(COC(=O)NC2CCCCC2)C=CC=C1 |
| Synonyms | 2-nitrobenzyl cyclohexylcarbamate,
119137-03-0,
2-Nitrobenzyl cyclohexanecarbamate,
Cyclohexylcarbamic acid 2-nitrobenzyl ester,
SCHEMBL793387,
NJMCHQONLVUNAM-UHFFFAOYSA-N,
ortho-nitrobenzyl cyclohexylcarbamate,
MFCD22376660,
ZINC38804939,
DA-18830,
FT-0743253,
N1052,
[[(2-nitrobenzyl)oxy]carbonyl]cyclohexylamine,
Carbamic acid, cyclohexyl-, (2-nitrophenyl)methyl ester (9CI),
|
| Complexity | 337 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.308g/mol |
| Monoisotopic Mass | 278.127g/mol |
| Rotatable Bond Count | 4 |
| 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
Certificate of Analysis
Lot Number