Completing data — usually done within a minute
Basic information
- CAS
64686-33-5- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C#N)c1- InChIKey
USQNWFKYQFQGLB-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292743
Names & identifiers
- Preferred name
- 5-Methyl-2-nitrobenzonitrile
- IUPAC
- 5-methyl-2-nitrobenzonitrile
Names & synonyms
5-Methyl-2-nitrobenzonitrile64113-86-6MFCD00267507Benzonitrile, 5-methyl-2-nitro-SCHEMBL13436685-Methyl-2-nitrobenzonitrile #DTXSID60983305CL8230AKOS00627420864686-33-5DS-0901AC-26102
Show more names
SY107554CS-0043876CHLORAMINEB2-Cyano-4-methylnitrobenzene5-Methyl-2-nitro-benzonitrileSCHEMBL10398270SCHEMBL16958745FM69815
Database identifiers
- CAS
64686-33-5- PubChem CID
- 560743
- DTXSID
DTXSID60983305- Nikkaji
- J1.100.579I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Related reactions
6 records
Compound notes
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