Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc(Cl)c3cc([N+](=O)[O-])sc3n2)cc1- InChIKey
HFOGKFPVGKOVQI-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3O4S
- Average molar mass
- 349.7 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chloro-6-nitro-thieno-[2,3-d]-pyrimidin-2-yl)-benzoic acid methylester
- IUPAC
- methyl 4-(4-chloro-6-nitrothieno[2,3-d]pyrimidin-2-yl)benzoate
Names & synonyms
SCHEMBL8178691HFOGKFPVGKOVQI-UHFFFAOYSA-N4-(4-chloro-6-nitro-thieno-[2,3-d]-pyrimidin-2-yl)-benzoic acid methylester
Database identifiers
- PubChem CID
- 23289529
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
14 records
Compound notes
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