(E) -4- (2-Fluorophenyl) but-3-enoic acid

CAT: 0926-CFA40653-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CFA40653-01Size:50 mg

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CAS Number

127406-53-5

MDL Number

MFCD18324916

Smiles

C1=CC=C (C (=C1) /C=C/CC (=O) O) F

Molecular Formula

C10H9FO2

Molecular Weight

180.18 g/mol

Controlled

Chemical Information

(E)-4-(2-fluorophenyl)but-3-enoic acid

CAS Number	127406-53-5
PubChem CID	14872484
IUPAC Name	(E)-4-(2-fluorophenyl)but-3-enoic acid
Molecular Formula	C10H9FO2
Molecular Weight	180.17
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

C1=CC=C(C(=C1)/C=C/CC(=O)O)F

InChI

InChI=1S/C10H9FO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-6H,7H2,(H,12,13)/b5-3+

InChIKey

PIEZMEORTPFVES-HWKANZROSA-N

Chemical Structure

2D Structure

CAS: 127406-53-5

CID: 14872484

Formula: C10H9FO2

MW: 180.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.17
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.05865769
Monoisotopic Mass	180.05865769
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RAA94375-01	4- (4-Fluorophenyl) -2-oxobut-3-enoic acid
CFA40467-01	4- (3-Fluorophenyl) but-3-enoic acid
BAA13095-01	3- (2-Fluorophenyl) but-2-enoic acid
CFA40466-01	(3E) -4- (4-Fluorophenyl) but-3-enoic acid
UEA32247	3-[ (4-Fluorophenyl) carbamoyl]prop-2-enoic acid
AZB87067-01	2- (2-Fluorophenyl) prop-2-enoic acid
FF168923-01	3- ((2-Fluorophenyl) piperazinylcarbamoyl) prop-2-enoic acid
PWB53086	3- ((2-fluorophenyl) piperazinylcarbamoyl) prop-2-enoic acid
WHA80460-01	3-[ (3-Chloro-4-fluorophenyl) carbamoyl]prop-2-enoic acid
FXB67633-01	(E) -5- (4-Chlorophenyl) -3-phenylpent-2-enoic acid

Catalog	Name
PC106108	(2E) -3- (4-Fluorophenyl) but-2-enoic acid
PC421190	(E) -4- (2-Fluorophenyl) but-3-enoic acid
PC106104	(2E) -3- (2-Fluorophenyl) -2-methylprop-2-enoic acid
PC106109	(2E) -3- (4-Fluorophenyl) hex-2-enoic acid
PC106110	(2E) -3-[ (2-Fluorophenyl) carbamoyl]prop-2-enoic acid
PC106107	(2E) -3- (4-Fluorophenyl) -5-methylhex-2-enoic acid
PC106106	(2E) -3- (4-Fluorophenyl) -4-methylpent-2-enoic acid
PC1014143-01	(E) -4- (3-fluorophenyl) -4-oxobut-2-enoic acid
AL BK 1329-01	(E) -3- (5-chloro-2-fluorophenyl) prop-2-enoic acid
AL BK 1237-01	(E) -3-[3- (4-fluorophenyl) phenyl]prop-2-enoic acid