2-[ (4-Fluorophenyl) methoxy]propanoic acid

CAT: 0926-VIA00023-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VIA00023-01Size:50 mg

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CAS Number

220000-23-7

MDL Number

MFCD20659724

Smiles

CC (C (=O) O) OCC1=CC=C (C=C1) F

Molecular Formula

C10H11FO3

Molecular Weight

198.19 g/mol

Controlled

Chemical Information

2-((4-Fluorophenyl)methoxy)propanoic acid

CAS Number	220000-23-7
PubChem CID	57550356
IUPAC Name	2-[(4-fluorophenyl)methoxy]propanoic acid
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

CC(C(=O)O)OCC1=CC=C(C=C1)F

InChI

InChI=1S/C10H11FO3/c1-7(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)

InChIKey

QREUQTVFOZOMOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220000-23-7

CID: 57550356

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FGA05910-01	2-[ (4-Fluorophenyl) sulfanyl]propanoic acid
AGA36026-01	(R) -2- (4-Fluorophenyl) propanoic acid
HWB93241-01	2- (4-Fluorophenyl) -2- (methylamino) propanoic acid
HWB48756-01	2- (Dimethylamino) -2- (4-fluorophenyl) propanoic acid
TNC04100-01	2-[ (4-Methylphenyl) methoxy]propanoic acid
YCA04190-01	2- (2-fluorophenyl) propanoic acid
KAC76433-01	2- (4-Methoxy-2-methylphenyl) propanoic acid
UBB00289-01	3- (4-Cyano-2-fluorophenyl) propanoic acid
JFA05795	3- (4-Bromo-2-fluorophenyl) propanoic acid
TEC55234-01	2- (3-Chloro-4-fluorophenyl) propanoic acid

Catalog	Name
HY-W028185-01	3- (4-Fluorophenyl) propanoic acid
276576-01	2- (4-Fluorophenyl) propanoic acid
PC201163-01	2- ((4-Fluorophenyl) amino) propanoic acid
sc-345776A	3-[ (4-fluorophenyl) sulfonyl]propanoic acid
PC111535-01	(R) -2- (4-fluorophenyl) propanoic acid
PC1001559-01	(S) -2- (4-Fluorophenyl) propanoic acid
PC107250	3-[ (4-Fluorophenyl) carbamoyl]propanoic acid
PC106948	2-[ (4-Fluorophenyl) methoxy]benzoic acid
422767-01	3- (4-Bromo-2-fluorophenyl) propanoic acid
sc-346125A	3-{[ (4-fluorophenyl) sulfonyl]amino}propanoic acid