4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate
Basic information
- CAS
284665-12-9- Standard SMILES
Cc1ccc(OC(=O)C=Cc2cccs2)c([N+](=O)[O-])c1- InChIKey
LBLKEBAOEMOTHS-UHFFFAOYSA-N- Molecular formula
- C14H11NO4S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.04087901
Names & identifiers
- Preferred name
- 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate
- IUPAC
- (4-methyl-2-nitrophenyl) 3-thiophen-2-ylprop-2-enoate
Names & synonyms
4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate284665-12-9RefChem:294217Maybridge1_0059294-methyl-2-nitrophenyl 3-(thiophen-2-yl)prop-2-enoateDTXSID101232102
Database identifiers
- CAS
284665-12-9- PubChem CID
- 586283
- DTXSID
DTXSID101232102
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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