Basic information
- Standard SMILES
N#Cc1ccccc1-c1ccc(CO)cc1[N+](=O)[O-]- InChIKey
ZPFJTARHBUSEJH-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3
- Average molar mass
- 254.24 g/mol
Names & identifiers
- Preferred name
- 4'-(Hydroxymethyl)-2'-nitrobiphenyl-2-carbonitrile
- IUPAC
- 2-[4-(hydroxymethyl)-2-nitrophenyl]benzonitrile
Names & synonyms
SCHEMBL1371797ZPFJTARHBUSEJH-UHFFFAOYSA-N4'-(hydroxymethyl)-2'-nitrobiphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67009200
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
12 records
Compound notes
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