Carbamic acid, N-methyl-, 3-nitrophenyl ester
Basic information
- CAS
6132-21-4- Standard SMILES
CNC(=O)Oc1cccc([N+](=O)[O-])c1- InChIKey
AJJNBMROCIVVSU-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Carbamic acid, N-methyl-, 3-nitrophenyl ester
- IUPAC
- (3-nitrophenyl) N-methylcarbamate
Names & synonyms
6132-21-4Carbamic acid, methyl-, 3-nitrophenyl esterCarbamic acid, N-methyl-, 3-nitrophenyl esterDTXSID60210224RefChem:1080968DTXCID601327153-Nitrophenyl methylcarbamateNSC-55614Phenol, 3-nitro-, methylcarbamateNSC 55614TL-9483-NITROPHENYL N-METHYLCARBAMATE
Show more names
QM78FDE298SCHEMBL4260502CHEMBL3249292AJJNBMROCIVVSU-UHFFFAOYSA-NNSC55614Methyl-carbamic acid 3-nitro-phenyl ester
Database identifiers
- CAS
6132-21-4- PubChem CID
- 80215
- DTXSID
DTXSID60210224- ChEMBL
CHEMBL3249292- UNII
- QM78FDE298
- Nikkaji
- J747.752J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP1.37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…