Basic information
- CAS
175136-19-3- Standard SMILES
O=C(O)C=Cc1ccc(OCc2ccc(F)cc2)cc1- InChIKey
KOLALLMUHXRTGD-UHFFFAOYSA-N- Molecular formula
- C16H13FO3
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.08487243
Names & identifiers
- Preferred name
- 3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic Acid
- IUPAC
- 3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
- English name
- 3-(4-(4-Fluorobenzyloxy)phenyl)acrylic acid
- Molecular formula
- C16H13FO3
- Molecular weight
- 272.27
Names & synonyms
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic Acid3-(4-((4-Fluorobenzyl)oxy)phenyl)acrylic acid3-{4-[(4-Fluorobenzyl)oxy]phenyl}acrylic acid3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enoic acid3-(4-[(4-Fluorobenzyl)oxy]phenyl)acrylic acid3-(4-(4-Fluorobenzyloxy)phenyl)acrylic acid(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acidSCHEMBL899771DTXSID60355543KOLALLMUHXRTGD-UHFFFAOYSA-NAKOS024144012DB-044027
Show more names
RARECHEM AL BK 04044-(4-FLUOROBENZYLOXY)CINNAMIC ACIDtrans-3-[4-(4-FluoroBenzyloxy)phenyl]acrylicacid(E)-3-(4-((4-fluorobenzyl)oxy)phenyl)acrylic acid3-[4-[(4-fluorophenyl)methoxy]phenyl]-2-propenoic acid2-Propenoic acid, 3-[4-[(4-fluorophenyl)methoxy]phenyl]-
3-[4-(4-fluoro-benzyloxy)-phenyl]-acrylic acid
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 208 · 208-209°C
- Boiling point
- 452.9 · 452.9±30.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
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
- 2918999090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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