Basic information
- CAS
383137-76-6- Standard SMILES
O=[N+]([O-])c1cc(-n2cccc2)ccc1Cl- InChIKey
ZNGIUEDAVLSYOS-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 1-(4-chloro-3-nitrophenyl)-1H-pyrrole
- IUPAC
- 1-(4-chloro-3-nitrophenyl)pyrrole
- English name
- 1-(4-Chloro-3-nitro-phenyl)-1H-pyrrole
- Molecular formula
- C10H7ClN2O2
- Molecular weight
- 222.63
Names & synonyms
1-(4-chloro-3-nitrophenyl)-1H-pyrrole383137-76-61-(4-chloro-3-nitrophenyl)pyrrole(4-chloro-3-nitrophenyl)pyrroleDTXSID70395117AKOS001476539SB62324DB-328554ST510214301-(4-Chloro-3-nitro-phenyl)-1H-pyrrole1H-Pyrrole, 1-(4-chloro-3-nitrophenyl)-
Database identifiers
- CAS
383137-76-6- PubChem CID
- 3691794
- DTXSID
DTXSID70395117
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 345.1 · 345.1±32.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -6.5 · -6.50±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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