4-chloro-5-nitro-7H-pyrrolo[2,3-d]pyrimidine
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Basic information
- CAS
22277-01-6- Standard SMILES
O=[N+]([O-])c1c[nH]c2ncnc(Cl)c12- InChIKey
FTYXRILYMGQZIW-UHFFFAOYSA-N- Molecular formula
- C6H3ClN4O2
- Average molar mass
- 198.57 g/mol
- Monoisotopic mass
- 197.994453
Names & identifiers
- Preferred name
- 4-chloro-5-nitro-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-chloro-5-nitro-7H-pyrrolo[2,3-d]pyrimidine
- English name
- 4-Chloro-5-nitro-7H-pyrrolo[2,3-d]pyrimidine
- Molecular formula
- C6H3ClN4O2
- Molecular weight
- 198.57
Names & synonyms
4-chloro-5-nitro-7H-pyrrolo[2,3-d]pyrimidine22277-01-6MFCD131837724-Chloro-5-nitro-1H-pyrrolo[2,3-d]pyrimidineNSC103799SCHEMBL2316717SCHEMBL2316722DTXSID90418938AKOS006337031NSC-103799AS-66149CS-0323962
Show more names
4-Chloro-5-nitropyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-nitro-
4-chloro-5-nitro-3H-pyrrolo[2,3-d]pyrimidineF433782
Database identifiers
- CAS
22277-01-6- PubChem CID
- 5380709
- DTXSID
DTXSID90418938
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 224 · 224.0±50.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.25 · 6.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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