Basic information
- CAS
175278-51-0- Standard SMILES
O=C(O)C=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1- InChIKey
OINFIUBIQMIRLK-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO4S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0019067
Names & identifiers
- Preferred name
- 3-[2-(4-Chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid
- IUPAC
- 3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid
- English name
- 3-[2-[(4-Chlorophenyl)thio]-5-nitrophenyl]acrylic acid
- Molecular formula
- C15H10ClNO4S
- Molecular weight
- 335.76
Names & synonyms
3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid175278-51-0SCHEMBL27543045DTXSID803842942-Propenoic acid,3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]prop-2-enoic Acid3-{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}prop-2-enoic acid3-[2-[(4-Chlorophenyl)thio]-5-nitrophenyl]acrylic acid(Z)-3-(2-((4-chlorophenyl)thio)-5-nitrophenyl)acrylic acid2-Propenoic acid, 3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-(2Z)-3-{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}prop-2-enoic acid
Database identifiers
- CAS
175278-51-0- PubChem CID
- 2801629
- DTXSID
DTXSID80384294
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 531.7 · 531.7±50.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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