Carbamic acid, (4-chlorophenyl)(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Basic information
- CAS
123312-13-0- Standard SMILES
CC(C)N(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1- InChIKey
DSPOWLWOEDXZHJ-UHFFFAOYSA-N- Molecular formula
- C24H21ClN2O3
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1240702
Names & identifiers
- Preferred name
- Carbamic acid, (4-chlorophenyl)(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] N-(4-chlorophenyl)-N-propan-2-ylcarbamate
Names & synonyms
123312-13-0Carbamic acid, (4-chlorophenyl)(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl esterDTXSID60924450Cyano(3-phenoxyphenyl)methyl (4-chlorophenyl)(propan-2-yl)carbamateCyano(3-phenoxyphenyl)methyl (4-chlorophenyl)propan-2-ylcarbamate
Database identifiers
- CAS
123312-13-0- PubChem CID
- 180179
- DTXSID
DTXSID60924450
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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