(2E)-3-(2-iodophenyl)prop-2-enenitrile
Basic information
- CAS
1027729-28-7- Standard SMILES
N#C/C=C/c1ccccc1I- InChIKey
GKYCNCYYESLGTD-HWKANZROSA-N- Molecular formula
- C9H6IN
- Average molar mass
- 255.05 g/mol
- Monoisotopic mass
- 254.9545
Names & identifiers
- Preferred name
- (2E)-3-(2-iodophenyl)prop-2-enenitrile
- IUPAC
- (E)-3-(2-iodophenyl)prop-2-enenitrile
Names & synonyms
2-IODOCINNAMONITRILE(2E)-3-(2-iodophenyl)prop-2-enenitrileSCHEMBL1999676DTXSID501281894AKOS0243391791027729-28-7(2E)-3-(2-Iodophenyl)-2-propenenitrile
Database identifiers
- CAS
1027729-28-7- PubChem CID
- 6247751
- DTXSID
DTXSID501281894- Nikkaji
- J2.737.370D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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