Basic information
- CAS
6780-39-8- Standard SMILES
COC(=Nc1ccccc1)c1ccccc1- InChIKey
KDKHRAVKGIIQHF-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- Benzenecarboximidic acid, N-phenyl-, methyl ester
- IUPAC
- methyl N-phenylbenzenecarboximidate
Names & synonyms
methyl N-phenylbenzenecarboximidateBenzenecarboximidic acid, N-phenyl-, methyl ester6780-39-8methyl N-phenyl-benzimidateSCHEMBL5178578SCHEMBL18100417DTXSID50441424methyl N-phenylbenzenecarboximidoateAJ-797/11461340
Database identifiers
- CAS
6780-39-8- PubChem CID
- 10536734
- DTXSID
DTXSID50441424- Nikkaji
- J687.453C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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