2- (3,4-Dichlorophenyl) -2-fluoroacetic acid

CAT: 0127-PC111838-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC111838-01Size:50 mg

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CAS Number

29229-91-2

Purity

97%

Smiles

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

Chemical Information

2-(3,4-Dichlorophenyl)-2-fluoroacetic acid

CAS Number	29229-91-2
PubChem CID	79366516
IUPAC Name	2-(3,4-dichlorophenyl)-2-fluoroacetic acid
Molecular Formula	C8H5Cl2FO2
Molecular Weight	223.02
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

C1=CC(=C(C=C1C(C(=O)O)F)Cl)Cl

InChI

InChI=1S/C8H5Cl2FO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,(H,12,13)

InChIKey

NCLZMPXSTDQEDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29229-91-2

CID: 79366516

Formula: C8H5Cl2FO2

MW: 223.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.02
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	221.9650629
Monoisotopic Mass	221.9650629
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	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC111293-01	2- (2,4-Dichlorophenyl) -2-fluoroacetic acid
PC111671-01	2- (3,4-Difluorophenyl) -2-fluoroacetic acid
PC110593-01	2- (4-Chlorophenyl) -2-fluoroacetic acid
PC110845-01	2- (3-Chlorophenyl) -2-fluoroacetic acid
PC102347	2- (4-Bromophenyl) -2-fluoroacetic acid
PC111860-01	2- (2,4-Difluorophenyl) -2-fluoroacetic acid
PC111248-01	2- (3-Bromophenyl) -2-fluoroacetic acid
PC102920	2-Cyclobutyl-2-fluoroacetic acid
PC111487-01	2- (2,3-Difluorophenyl) -2-fluoroacetic acid
PC100579-01	2- (Diethoxyphosphoryl) -2-fluoroacetic acid

Catalog	Name
ZCA59068-01	2- (3-Chlorophenyl) -2-fluoroacetic acid
428699-01	4- (2,3-Dichlorophenyl) benzoic acid
413490-01	2- (3,4-Dichlorophenyl) benzoic acid
ACA90045	2- (3,4-Dichlorophenyl) sulfanylbenzoic acid
274204-01	3- (2,4-Dichlorophenyl) propionic acid
RG-E140259-01	2- (3,4-dichlorophenyl) acetic acid
ABA17322-01	2- (3,4-Dichlorophenyl) propanoic acid
SKC64508-01	2- (3,4-Dichlorophenyl) cyclobutanecarboxylic acid
274014-01	2- (3,4-Dichlorophenyl) succinic acid
sc-305277	2- (3,4-Dichlorophenyl) -4-quinolinecarboxylic acid