Benz(a)anthracen-11-ol, 7-nitro-
Basic information
- CAS
119087-35-3- Standard SMILES
O=[N+]([O-])c1c2cccc(O)c2cc2c1ccc1ccccc12- InChIKey
JJSLHWGBQRWXCX-UHFFFAOYSA-N- Molecular formula
- C18H11NO3
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.07389321
Names & identifiers
- Preferred name
- Benz(a)anthracen-11-ol, 7-nitro-
- IUPAC
- 7-nitrobenzo[a]anthracen-11-ol
- English name
- Benz(a)anthracen-11-ol, 7-nitro-
- Molecular formula
- C18H11NO3
- Molecular weight
- 289.28
Names & synonyms
7-nitrobenzo[a]anthracen-11-olBenz(a)anthracen-11-ol, 7-nitro-119087-35-37-Nitrobenz(a)anthracen-11-ol7-nitrotetraphen-11-olCHEMBL166601DTXSID40152310
Database identifiers
- CAS
119087-35-3- PubChem CID
- 147335
- DTXSID
DTXSID40152310- ChEMBL
CHEMBL166601
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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