Basic information
- CAS
6332-93-0- Standard SMILES
CCOC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1- InChIKey
HGHMFBRPCGVCGM-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O4
- Average molar mass
- 244.63 g/mol
- Monoisotopic mass
- 244.0250845
Names & identifiers
- Preferred name
- ethyl N-(3-chloro-5-nitrophenyl)carbamate
- IUPAC
- ethyl N-(3-chloro-5-nitrophenyl)carbamate
Names & synonyms
6332-93-0NSC38774DTXSID90979438NSC-38774Ethyl hydrogen (3-chloro-5-nitrophenyl)carbonimidate
Database identifiers
- CAS
6332-93-0- PubChem CID
- 236348
- DTXSID
DTXSID90979438
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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