Basic information
- CAS
18944-77-9- Standard SMILES
O=C(O)/C=C/c1ccccc1F- InChIKey
IOUDZAFBPDDAMK-AATRIKPKSA-N- Molecular formula
- C9H7FO2
- Average molar mass
- 166.15 g/mol
- Monoisotopic mass
- 166.04300768
Overview
RN given refers to (Z)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 2-Fluorocinnamic acid
- IUPAC
- (E)-3-(2-fluorophenyl)prop-2-enoic acid
- English name
- 2-fluorocinnamic acid
- Molecular formula
- C9H7FO2
- Molecular weight
- 166.15
Names & synonyms
2-Fluorocinnamic acidortho-Fluorocinnamate20595-29-3RefChem:472626207-195-3451-69-418944-77-9Cinnamic acid, o-fluoro-(E)-3-(2-Fluorophenyl)acrylic acido-Fluorocinnamic acid(2E)-3-(2-fluorophenyl)prop-2-enoic acid(E)-3-(2-fluorophenyl)prop-2-enoic acid
Show more names
2-Propenoic acid, 3-(2-fluorophenyl)-, (2Z)-
2-Propenoic acid, 3-(2-fluorophenyl)-3-(2-Fluorophenyl)acrylic acid3-(2-fluoro-phenyl)-acrylic acid2-PROPENOIC ACID, 3-(2-FLUOROPHENYL)-, (2E)-MFCD000043703-(2-fluorophenyl)-2-propenoic acidBRN 18639632-Fluorocinnamic acid, 98%
Database identifiers
- CAS
18944-77-9、20595-29-3、451-69-4- PubChem CID
- 735833
- DTXSID
DTXSID601274238- EC Number
- 207-195-3、242-697-6
- Nikkaji
- J146.055B、J224.810G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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