Basic information
- Standard SMILES
CC(O)c1cccc([N+](=O)[O-])c1Cl- InChIKey
VVADBPKLKRAERG-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-alpha-methyl-3-nitrobenzenemethanol
- IUPAC
- 1-(2-chloro-3-nitrophenyl)ethanol
Names & synonyms
SCHEMBL4395554VVADBPKLKRAERG-UHFFFAOYSA-N135007-59-9DA-314382-chloro-alpha-methyl-3-nitrobenzenemethanol
Database identifiers
- PubChem CID
- 15735720
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
2 records
Compound notes
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