methyl N-(4-chloro-2-nitrophenyl)carbamate
Basic information
- CAS
29111-80-6- Standard SMILES
COC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
ISQCPFBIATYKDN-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O4
- Average molar mass
- 230.6 g/mol
- Monoisotopic mass
- 230.0094344
Names & identifiers
- Preferred name
- methyl N-(4-chloro-2-nitrophenyl)carbamate
- IUPAC
- methyl N-(4-chloro-2-nitrophenyl)carbamate
Names & synonyms
29111-80-6methyl N-(4-chloro-2-nitrophenyl)carbamateNSC171065DTXSID30305550NSC-171065Methyl (4-chloro-2-nitrophenyl)carbamate
Database identifiers
- CAS
29111-80-6- PubChem CID
- 298750
- DTXSID
DTXSID30305550
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
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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