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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53395496Generated: October 23, 2026

3-{4-[(3,4-Dichlorophenyl)methoxy]-3-nitrophenyl}prop-2-enoic acid

4-(3,4-DICHLOROBENZYLOXY)-3-NITROCINNAMIC ACID · 3-(4-[(3,4-Dichlorobenzyl)oxy]-3-nitrophenyl)acrylic acid · (E)-3-(4-((3,4-dichlorobenzyl)oxy)-3-nitrophenyl)acrylic acid · 2-Propenoic acid, 3-[4-[(3,4-dichlorophenyl)methoxy]-3-nitrophenyl]-

https://huagongshe.com/en/chemical/53395496

3-{4-[(3,4-Dichlorophenyl)methoxy]-3-nitrophenyl}prop-2-enoic acid molecular structure

Identifiers & Physical Properties

CAS No.885267-53-8
Molecular formulaC16H11Cl2NO5
Average molar mass368.2 g/mol
Monoisotopic mass367.00142781 g/mol
SMILESO=C(O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1
InChIKeyLAMJOEWYKPPTAJ-UHFFFAOYSA-N
PubChem CID53395496
DTXSIDDTXSID401163891

Chemical & Physical Properties

XLogP4.4
Topological polar surface area92.4
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds5
Heavy atoms24
Formal charge0
Complexity482
Boiling point571.6±50.0 °C(Predicted)
Density1.499±0.06 g/cm3(Predicted)
pKa (acidity coefficient)4.23±0.10(Predicted)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP280-P305+P351+P338
Hazard symbolsXi
Hazard classIRRITANT
Customs code2921490090

Safety & Regulations

Customs code2921490090
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Hazard classIRRITANT
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP280-P305+P351+P338
3-{4-[(3,4-Dichlorophenyl)methoxy]-3-nitrophenyl}prop-2-enoic acid｜Huagongshe