Basic information
- CAS
874-88-4- Standard SMILES
N#Cc1ccc(CI)cc1- InChIKey
XVCMLNJYQSBFPR-UHFFFAOYSA-N- Molecular formula
- C8H6IN
- Average molar mass
- 243.04 g/mol
- Monoisotopic mass
- 242.95449719
Names & identifiers
- Preferred name
- 4-(Iodomethyl)benzonitrile
- IUPAC
- 4-(iodomethyl)benzonitrile
Names & synonyms
4-(iodomethyl)benzonitrile874-88-4DTXSID80355782RefChem:289120DTXCID90306841Benzonitrile, 4-(iodomethyl)-4-cyano-benzyliodideSCHEMBL22925544-(iodomethyl)benzenecarbonitrileXVCMLNJYQSBFPR-UHFFFAOYSA-NSBB099669AKOS014117787
Show more names
AC-907/25004768
Database identifiers
- CAS
874-88-4- PubChem CID
- 817276
- DTXSID
DTXSID80355782- Nikkaji
- J1.933.554B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Related reactions
2 records
Compound notes
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