Basic information
- CAS
605-27-6- Standard SMILES
O=C1c2ccccc2C(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
QCVMOSGPTRRUQZ-UHFFFAOYSA-N- Molecular formula
- C14H7NO4
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.0375077
Names & identifiers
- Preferred name
- 2-Nitroanthraquinone
- IUPAC
- 2-nitroanthracene-9,10-dione
- English name
- 2-Nitro-9,10-anthraquinone
- Molecular formula
- C14H7NO4
- Molecular weight
- 253.21
Names & synonyms
2-nitroanthraquinone605-27-6DTXSID80398018RefChem:264315DTXCID403488772-nitroanthracene-9,10-dione2-Nitro-9,10-anthraquinone2-NITRO-9,10-DIHYDROANTHRACENE-9,10-DIONE2-nitro-anthracene-9,10-dione2-Nitro-anthrachinon2-nitroanthra-9,10-quinoneSCHEMBL5156700
Show more names
9,10-Anthracenedione, 2-nitro-
SCHEMBL7413127SCHEMBL7418455SCHEMBL9315643QCVMOSGPTRRUQZ-UHFFFAOYSA-NMFCD00474651AKOS001483565
Database identifiers
- CAS
605-27-6- PubChem CID
- 3928593
- DTXSID
DTXSID80398018- Nikkaji
- J33.334D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Melting point
- 184.5 °C · 184.5°C
- Boiling point
- 396.41 °C · 396.41°C (rough estimate)
- Density
- 1.3146 · 1.3146 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
8 records
Compound notes
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