2-chloroethyl N-(4-nitrobenzoyl)carbamate
Basic information
- CAS
29000-80-4- Standard SMILES
O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)OCCCl- InChIKey
VFZIVHVDCBFHNU-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O5
- Average molar mass
- 272.64 g/mol
- Monoisotopic mass
- 272.0199991
Names & identifiers
- Preferred name
- 2-chloroethyl N-(4-nitrobenzoyl)carbamate
- IUPAC
- 2-chloroethyl N-(4-nitrobenzoyl)carbamate
Names & synonyms
29000-80-42-chloroethyl N-(4-nitrobenzoyl)carbamateNSC170324DTXSID60305341NSC-1703242-chloroethyl (4-nitrobenzoyl)carbamate
Database identifiers
- CAS
29000-80-4- PubChem CID
- 298348
- DTXSID
DTXSID60305341
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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