Methyl 4-fluorocinnamate, predominantly trans - CAS 96426-60-7

Name: Methyl 4-fluorocinnamate, predominantly trans
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041969
Product Name:	Methyl 4-fluorocinnamate, predominantly trans
CAS:	96426-60-7
Synonyms:	methyl (E)-3-(4-fluorophenyl)prop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Description:	Methyl 4-fluorocinnamate, predominantly trans (CAS# 96426-60-7) is a useful research chemical.
Molecular Weight:	180.18
Molecular Formula:	C10H9FO2
Canonical SMILES:	COC(=O)C=CC1=CC=C(C=C1)F
InChI:	InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChI Key:	HSNCAEKOZRUMTB-QPJJXVBHSA-N
Boiling Point:	251.7 °C at 760 mmHg
Density:	1.165 g/cm³
Appearance:	White to beige powder or crystalline powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00297011
LogP:	2.01190

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride

Other Pyrimidines

[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[932236-53-8]C12H9ClN4
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

Publication Number	Title	Priority Date
WO-2021179049-A1	Treatment of disorders associated with oxidative stress and compounds for same	20200313
US-2021323942-A1	Heterocyclic compounds for modulating nr2f6	20200225
WO-2021170658-A1	Heterocyclic compounds for modulating nr2f6	20200225
CN-108864374-B	Preparation method of ether high-water-retention polycarboxylate superplasticizer	20180601
CN-108864375-B	Preparation method of water-retention and mud-resistance type polycarboxylate superplasticizer	20180601

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	180.05865769
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.05865769
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7