Basic information
- CAS
62403-98-9- Standard SMILES
CCOC(=O)c1cc(C)c(-c2cccc([N+](=O)[O-])c2)s1- InChIKey
IZLMJYWLJCDLPQ-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- Ethyl 4-methyl-5-(3-nitrophenyl)thiophene-2-carboxylate
- IUPAC
- ethyl 4-methyl-5-(3-nitrophenyl)thiophene-2-carboxylate
- English name
- ethyl 5-{3-nitrophenyl}-4-methyl-2-thiophenecarboxylate
- Molecular formula
- C14H13NO4S
- Molecular weight
- 291.32232
Names & synonyms
62403-98-9ethyl 4-methyl-5-(3-nitrophenyl)thiophene-2-carboxylateethyl 5-{3-nitrophenyl}-4-methyl-2-thiophenecarboxylate2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl esterAA-516/33240015DTXSID10356348
Database identifiers
- CAS
62403-98-9- PubChem CID
- 821970
- DTXSID
DTXSID10356348
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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