Basic information
- CAS
14572-54-4- Standard SMILES
O=C(NC1CCCCC1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]- InChIKey
JLQMCSGWCSRKSC-UHFFFAOYSA-N- Molecular formula
- C13H13Cl3N2O4
- Average molar mass
- 367.6 g/mol
- Monoisotopic mass
- 365.99409
Names & identifiers
- Preferred name
- Phenol, 2-nitro-3,4,6-trichloro-, cyclohexylcarbamate
- IUPAC
- (3,4,6-trichloro-2-nitrophenyl) N-cyclohexylcarbamate
- English name
- Cyclohexylcarbamic acid 3,4,6-trichloro-2-nitrophenyl ester
- Molecular formula
- C13H13Cl3N2O4
- Molecular weight
- 367.61
Names & synonyms
14572-54-4Phenol, 2-nitro-3,4,6-trichloro-, cyclohexylcarbamateNSC 203128BRN 29031323,4,6-Trichloro-2-nitrophenyl cyclohexanecarbamateCyclohexanecarbamic acid, 3,4,6-trichloro-2-nitrophenyl ester2-Nitro-3,4,6-trichlorophenol cyclohexylcarbamateDTXSID60163145RefChem:369068DTXCID8085636Cyclohexanecarbamic acid, 3,4,6-trichloro-2-nitrophenyl ester (8CI)NSC-203128
Show more names
NSC203128(3,4,6-trichloro-2-nitrophenyl) N-cyclohexylcarbamateCyclohexylcarbamic acid 3,4,6-trichloro-2-nitrophenyl ester3,6-Trichloro-2-nitrophenyl cyclohexanecarbamateK95NBR4PT9WLN: L6TJ AMVOR BG DG EG FNWDS-002602Phenol,4,6-trichloro-, cyclohexylcarbamate
Database identifiers
- CAS
14572-54-4- PubChem CID
- 99745
- DTXSID
DTXSID60163145- UNII
- K95NBR4PT9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 5
- 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
Physicochemical properties
- FDA UNII
- 95 NBR4PT9 · K95NBR4PT9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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