Basic information
- CAS
80354-46-7- Standard SMILES
O=C(NCCCl)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
OHDYMRIIHXGSEX-UHFFFAOYSA-N- Molecular formula
- C9H7Cl4NO2
- Average molar mass
- 303 g/mol
- Monoisotopic mass
- 300.923089
Names & identifiers
- Preferred name
- Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester
- IUPAC
- (2,4,5-trichlorophenyl) N-(2-chloroethyl)carbamate
Names & synonyms
80354-46-7Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl esterNSC 334037NSC334037SCHEMBL10598676DTXSID70318689NSC-334037DS-0073842,4,5-Trichlorophenyl (2-chloroethyl)carbamate
Database identifiers
- CAS
80354-46-7- PubChem CID
- 333364
- DTXSID
DTXSID70318689
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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