3-(2-Fluorophenyl)prop-2-enoic acid

HCID 67977CAS 18944-77-9

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Basic information

Standard SMILES: O=C(O)C=Cc1ccccc1F
InChIKey: IOUDZAFBPDDAMK-UHFFFAOYSA-N
Molecular formula: C9H7FO2
Average molar mass: 166.15 g/mol
Monoisotopic mass: 166.04300762

Names & identifiers

Preferred name: 3-(2-Fluorophenyl)prop-2-enoic acid
IUPAC: 3-(2-fluorophenyl)prop-2-enoic acid

Names & synonyms

451-69-43-(2-fluorophenyl)prop-2-enoic acid2-Propenoic acid, 3-(fluorophenyl)-(2e)-3-(2-fluorophenyl)acrylic acidEINECS 242-697-66-fluorocinnamic acid2-fluoro-cinnamic acidNCIOpen2_000622SCHEMBL79638SCHEMBL1510539SCHEMBL29365442IOUDZAFBPDDAMK-UHFFFAOYSA-N

Show more names

AKOS025243336DB-021129

Database identifiers

CAS: 18944-77-9、451-69-4
PubChem CID: 67977
DTXSID: DTXSID9075408

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 189

Related reactions

63 records

New reaction record

HRID 90587As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101125As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124650As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 164971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 181876As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 208574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289901As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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