Basic information
- CAS
7304-99-6- Standard SMILES
CN(C)C(=O)Oc1cccc([N+](=O)[O-])c1- InChIKey
ABXVZVIOAYTALB-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 3-Nitrophenyl dimethylcarbamate
- IUPAC
- (3-nitrophenyl) N,N-dimethylcarbamate
Names & synonyms
3-nitrophenyl dimethylcarbamate7304-99-6Carbamic acid, dimethyl-, 3-nitrophenyl esterF1318-0213(3-nitrophenyl) N,N-dimethylcarbamateAI3-33125dimethyl m-nitrobenzenecarbamateCHEMBL2288489SCHEMBL28614012DTXSID20223315SMSSF-0040231AKOS002244008
Show more names
N,N-dimethyl(3-nitrophenoxy)carboxamideST50753498Carbamic acid, dimethyl-, m-nitrophenyl esterAL-398/40365520SR-01000261394SR-01000261394-1Z274554972
Database identifiers
- CAS
7304-99-6- PubChem CID
- 23729
- DTXSID
DTXSID20223315- ChEMBL
CHEMBL2288489- Nikkaji
- J1.567.015K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
LogP1.56
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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