Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester
Basic information
- CAS
4654-46-0- Standard SMILES
CNC(=O)Oc1cc(C)c([N+](=O)[O-])c(C)c1- InChIKey
ZLAZQGTZGKUJHJ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester
- IUPAC
- (3,5-dimethyl-4-nitrophenyl) N-methylcarbamate
Names & synonyms
4-Nitro-3,5-xylyl methylcarbamate4654-46-0Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester3,5-dimethyl-4-nitrophenyl methylcarbamateDTXSID60196872
Database identifiers
- CAS
4654-46-0- PubChem CID
- 6452059
- DTXSID
DTXSID60196872
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…