(3-Methylthiophen-2-yl)-(2-nitrophenyl)methanone
Basic information
- CAS
54696-82-1- Standard SMILES
Cc1ccsc1C(=O)c1ccccc1[N+](=O)[O-]- InChIKey
NYDMHDLMTWFNRD-UHFFFAOYSA-N- Molecular formula
- C12H9NO3S
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.03031432
Names & identifiers
- Preferred name
- (3-Methylthiophen-2-yl)-(2-nitrophenyl)methanone
- IUPAC
- (3-methylthiophen-2-yl)-(2-nitrophenyl)methanone
Names & synonyms
54696-82-1(3-methylthiophen-2-yl)-(2-nitrophenyl)methanoneNSC345770DTXSID30319475NSC-345770(3-METHYLTHIOPHEN-2-YL)(2-NITROPHENYL)METHANONE
Database identifiers
- CAS
54696-82-1- PubChem CID
- 335601
- DTXSID
DTXSID30319475
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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