Basic information
- CAS
64061-59-2- Standard SMILES
CC(C)=Cc1cccc([N+](=O)[O-])c1O- InChIKey
KELSIGSZYNCJKO-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Phenol, 2-(2-methyl-1-propen-1-yl)-6-nitro-
- IUPAC
- 2-(2-methylprop-1-enyl)-6-nitrophenol
Names & synonyms
2-(2-Methyl-1-propenyl)-6-nitrophenolPhenol, 2-(2-methyl-1-propen-1-yl)-6-nitro-RefChem:860789Phenol, 2-(2-methyl-1-propenyl)-6-nitro-64061-59-22-(2-METHYLPROP-1-EN-1-YL)-6-NITROPHENOLDTXSID8070041SCHEMBL11761369KELSIGSZYNCJKO-UHFFFAOYSA-N
Database identifiers
- CAS
64061-59-2- PubChem CID
- 116526
- DTXSID
DTXSID8070041- Nikkaji
- J453.238D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-(2-methyl-1-propen-1-yl)-6-nitro-: INACTIVE
Related reactions
1 records
Compound notes
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