Basic information
- CAS
14572-56-6- Standard SMILES
O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]- InChIKey
JHRWACNGISVENE-UHFFFAOYSA-N- Molecular formula
- C13H7Cl3N2O4
- Average molar mass
- 361.6 g/mol
- Monoisotopic mass
- 359.94714
Names & identifiers
- Preferred name
- Phenol, 2-nitro-3,4,6-trichloro-, phenylcarbamate
- IUPAC
- (3,4,6-trichloro-2-nitrophenyl) N-phenylcarbamate
Names & synonyms
14572-56-6Phenol, 2-nitro-3,4,6-trichloro-, phenylcarbamate(3,4,6-trichloro-2-nitrophenyl) N-phenylcarbamatePhenol, 3,4,6-trichloro-2-nitro-, phenylcarbamate (ester)NSC-2028269TVW7HHZ74DTXSID20163146RefChem:1094864DTXCID3085637NSC 202826BRN 29010552-Nitro-3,4,6-trichlorophenol phenylcarbamate
Show more names
NSC202826Phenol, 3,4,6-trichloro-2-nitro-, carbanilate esterCarbamic acid, phenyl-, 2-nitro-3,4,6-trichlorophenyl esterWLN: WNR BG CG EG FOVMRPhenol,4,6-trichloro-, phenylcarbamate3,4,6-Trichloro-2-nitrophenyl carbanilate2-Nitro-3,6-trichlorophenol phenylcarbamate3,4,6-Trichloro-2-nitrophenyl phenylcarbamate
Database identifiers
- CAS
14572-56-6- PubChem CID
- 99239
- DTXSID
DTXSID20163146- UNII
- 9TVW7HHZ74
- Nikkaji
- J86.629F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…