(1-Isocyano-1-phenylethyl)benzene
Basic information
- CAS
32528-87-3- Standard SMILES
[C-]#[N+]C(C)(c1ccccc1)c1ccccc1- InChIKey
DBJSAEYWBLXMOE-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- (1-Isocyano-1-phenylethyl)benzene
- IUPAC
- (1-isocyano-1-phenylethyl)benzene
Names & synonyms
32528-87-3(1-isocyano-1-phenylethyl)benzeneDTXSID40329641NSC141686NSC-1416861,1'-(1-Isocyanoethane-1,1-diyl)dibenzene
Database identifiers
- CAS
32528-87-3- PubChem CID
- 422124
- DTXSID
DTXSID40329641
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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