Carbamic acid, (4-chlorophenyl)methyl-, cyano(3-phenoxyphenyl)methyl ester
Basic information
- CAS
123312-17-4- Standard SMILES
CC(NC(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1- InChIKey
HJHXIZZLDBFPMN-UHFFFAOYSA-N- Molecular formula
- C23H19ClN2O3
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1084202
Names & identifiers
- Preferred name
- Carbamic acid, (4-chlorophenyl)methyl-, cyano(3-phenoxyphenyl)methyl ester
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] N-[1-(4-chlorophenyl)ethyl]carbamate
Names & synonyms
123312-17-4Carbamic acid, (4-chlorophenyl)methyl-, cyano(3-phenoxyphenyl)methyl esterDTXSID00924454Cyano(3-phenoxyphenyl)methyl hydrogen [1-(4-chlorophenyl)ethyl]carbonimidate
Database identifiers
- CAS
123312-17-4- PubChem CID
- 180183
- DTXSID
DTXSID00924454
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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