3- (2,4-Difluorophenoxy) propanoic acid

CAT: 0127-PC5504-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC5504-01Size:1 g

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CAS Number

777-28-6

Synonyms

3- (2,4-Difluorophenoxy) propionic acid

MDL Number

MFCD01764783

Purity

=95%

Smiles

OC(=O)CCOc1ccc(F)cc1F

Chemical Information

3-(2,4-Difluorophenoxy)propanoic acid

CAS Number	777-28-6
PubChem CID	302884
IUPAC Name	3-(2,4-difluorophenoxy)propanoic acid
Molecular Formula	C9H8F2O3
Molecular Weight	202.15
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

C1=CC(=C(C=C1F)F)OCCC(=O)O

InChI

InChI=1S/C9H8F2O3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)

InChIKey

KELQPDLVHXMGBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 777-28-6

CID: 302884

Formula: C9H8F2O3

MW: 202.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.15
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	202.04415044
Monoisotopic Mass	202.04415044
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC101947	2- (3,4-Difluorophenoxy) propanoic acid
PC911122-01	(3,4-Difluorophenoxy) acetic acid
PC1022816	3- ((2,4-difluorophenoxy) methyl) benzoic acid
PC1026390-01	4- ((2,3-difluorophenoxy) methyl) benzoic acid
PC911112-01	(2,4-Difluorophenoxy) acetic acid
PC99617-01	4- (3,4-Difluorophenoxy) benzoic acid
PC101418-01	4- (2,4-Difluorophenoxy) benzoic acid
PC10186-01	3-[2- (3,4-Difluorophenoxy) phenyl]acrylic acid
PC1021780	2- (2,4-Difluorophenoxy) -2-methylpropanoic acid
PC1026785-01	4- (2,3-Difluorophenoxy) benzenamine

Catalog	Name
sc-282544	2- (2,4-difluorophenoxy) propanoic acid
sc-339718A	2- (3,4-difluorophenoxy) propanoic acid
sc-352283A	3- (2,4-difluorophenoxy) propanoic acid
BMB25660-01	3- (3,4-Difluorophenoxy) propanoic acid
SMB48540-01	3- (2,5-Difluorophenoxy) propanoic acid
ICC96300-01	2- (4-Cyanobenzenesulfonamido) propanoic acid
ABA14102-01	2- (4-Propylphenoxy) propanoic acid
AAC93390-01	2- (4-Methanesulfonylphenyl) propanoic acid
Fr21275-01	2- (4-broMophenyl) propanoic acid
413637-01	2- (4-Bromobenzyl) propanoic acid