Basic information
- CAS
120014-85-9- Standard SMILES
O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)CCCC4O- InChIKey
ROUCWEBNTWMOKZ-UHFFFAOYSA-N- Molecular formula
- C20H15NO3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10519334
Names & identifiers
- Preferred name
- 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
- IUPAC
- 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
- English name
- 7-HYDROXY-1-NITRO-7,8,9,10-TETRAHYDROBENZ(A)PYRENE
- Molecular formula
- C20H15NO3
- Molecular weight
- 317.34
Names & synonyms
120014-85-97-Hydroxy-1-nitro-7,8,9,10-tetrahydrobenzo(a)pyreneCCRIS 80581-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol7-HYDROXY-1-NITRO-7,8,9,10-TETRAHYDROBENZO[A}PYRENE7,8,9,10-Tetrahydro-1-nitrobenzo(a)pyren-7-olBenzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-1-nitro-DTXSID009231847-HYDROXY-1-NITRO-7,8,9,10-TETRAHYDROBENZ(A)PYRENE1-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-olBenzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-1-nitro-
Database identifiers
- CAS
120014-85-9- PubChem CID
- 147455
- DTXSID
DTXSID00923184
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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