Basic information
- CAS
119087-37-5- Standard SMILES
CC(=O)Oc1cccc2c1c([N+](=O)[O-])c1ccc3cccc4ccc2c1c34- InChIKey
OLSYDJUQRUQUFT-UHFFFAOYSA-N- Molecular formula
- C22H13NO4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.0844579
Names & identifiers
- Preferred name
- (6-Nitrobenzo[a]pyren-7-yl) acetate
- IUPAC
- (6-nitrobenzo[a]pyren-7-yl) acetate
- English name
- 6-Nitrobenzo(a)pyren-7-ol acetate (ester)
- Molecular formula
- C22H13NO4
- Molecular weight
- 355.34
Names & synonyms
6-Nitrobenzo(a)pyren-7-ol acetate (ester)119087-37-5(6-nitrobenzo[a]pyren-7-yl) acetateBenzo(a)pyren-7-ol, 6-nitro-, acetate (ester)NIOSH/DJ82979007-Acetoxy-6-nitrobenzo(a)pyreneDTXSID109228656-Nitrobenzo(a)pyrene-7-ol acetate6-nitrobenzo[pqr]tetraphen-7-yl acetateBenzo(a)pyren-7-ol, 6-nitro-, acetateDJ82979000Benzo[a]pyren-7-ol, 6-nitro-, 7-acetate
Database identifiers
- CAS
119087-37-5- PubChem CID
- 147337
- DTXSID
DTXSID10922865
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
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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