Basic information
- CAS
1744-91-8- Standard SMILES
O=[N+]([O-])c1ccc2c(Cl)c3ccccc3nc2c1- InChIKey
WYSFRKRTNWKBCD-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2
- Average molar mass
- 258.66 g/mol
- Monoisotopic mass
- 258.0196052
Names & identifiers
- Preferred name
- Acridine, 9-chloro-3-nitro-
- IUPAC
- 9-chloro-3-nitroacridine
- English name
- 9-chloro-3-nitroacridine
- Molecular formula
- C13H7ClN2O2
- Molecular weight
- 258.66
Names & synonyms
1744-91-8Acridine, 9-chloro-3-nitro-NSC 278012DTXSID60169824RefChem:317153DTXCID10923159-chloro-3-nitroacridineNSC-278012NSC2780126-nitro-9-chloroacridineRNS37V4PTXSCHEMBL4167466
Show more names
SBB102076AN-584/43421522
Database identifiers
- CAS
1744-91-8- PubChem CID
- 100263
- DTXSID
DTXSID60169824- UNII
- RNS37V4PTX
- Nikkaji
- J3.026.455J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 214 °C · 214 °C
- Boiling point
- 464.5 · 464.5±15.0 °C(Predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Predicted)
- pka
- 1.47 · 1.47±0.10(Predicted)
- FDA UNII
- 37 V4PTX · RNS37V4PTX
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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