Basic information
- CAS
782-94-5- Standard SMILES
O=C(Nc1ccc(Cl)cc1)OCC(F)(F)F- InChIKey
XRRXDEMRTNDOQJ-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 253.0117406
Names & identifiers
- Preferred name
- 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate
- IUPAC
- 2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
- English name
- 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate
- Molecular formula
- C9H7ClF3NO2
- Molecular weight
- 253.61
Names & synonyms
782-94-52,2,2-trifluoroethyl 4-chlorophenylcarbamate2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate2,2,2-Trifluoroethyl (4-chlorophenyl)carbamateSCHEMBL10591163DTXSID20429310XRRXDEMRTNDOQJ-UHFFFAOYSA-NAKOS008961307CS-0235857EN300-163392,2,2-Trifluoroethyl(4-chlorophenyl)carbamateG36261
Show more names
Carbamic acid, N-(4-chlorophenyl)-, 2,2,2-trifluoroethyl ester
Z55292526
Database identifiers
- CAS
782-94-5- PubChem CID
- 9106578
- DTXSID
DTXSID20429310
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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