Basic information
- CAS
175136-15-9- Standard SMILES
O=C(O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1- InChIKey
NGTVZGVCDADUBF-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2O3
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 322.0163496
Names & identifiers
- Preferred name
- 3-(4-((3,4-Dichlorobenzyl)oxy)phenyl)acrylic acid
- IUPAC
- 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
- English name
- 4-(3,4-DICHLOROBENZYLOXY)CINNAMIC ACID
- Molecular formula
- C16H12Cl2O3
- Molecular weight
- 323.17
Names & synonyms
175136-15-93-(4-((3,4-Dichlorobenzyl)oxy)phenyl)acrylic acid3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}prop-2-enoic acid2-Propenoic acid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-3-{4-[(3,4-Dichlorobenzyl)oxy]phenyl}acrylic acid2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-SCHEMBL7821570DTXSID00627574AKOS024150147DB-044025H37039
Show more names
RARECHEM AL BK 10274-(3,4-DICHLOROBENZYLOXY)CINNAMIC ACID3-(4-(3,4-DICHLOROBENZYLOXY)PHENYL)ACRYLIC ACID(E)-3-(4-((3,4-dichlorobenzyl)oxy)phenyl)acrylic acid3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-propenoic acid(E)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 499.6 · 499.6±40.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.55 · 4.55±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
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
- 2916399090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Aladdin Scientific[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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