Basic information
- CAS
105802-11-7- Standard SMILES
Cc1c([N+](=O)[O-])c2ccccc2c2ccc3ccccc3c12- InChIKey
BRHWSCIEJDCELY-UHFFFAOYSA-N- Molecular formula
- C19H13NO2
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.09462866
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Nitro-5-methylchrysene
- IUPAC
- 5-methyl-6-nitrochrysene
- English name
- Chrysene, 5-methyl-6-nitro-
- Molecular weight
- 0
Names & synonyms
6-Nitro-5-methylchrysene5-Methyl-6-nitrochrysene105802-11-7CHRYSENE, 5-METHYL-6-NITRO-D2LQ2KQL3QDTXSID30147351RefChem:105084DTXCID4069842CCRIS 1787UNII-D2LQ2KQL3Q
Database identifiers
- CAS
105802-11-7- PubChem CID
- 60025
- DTXSID
DTXSID30147351- UNII
- D2LQ2KQL3Q
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 LQ2KQL3Q · D2LQ2KQL3Q
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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