3- (2-Fluoroethoxy) benzoic acid

CAT: 0926-QEC93911-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QEC93911-01Size:50 mg

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CAS Number

1365939-11-2

MDL Number

MFCD21646896

Smiles

C1=CC (=CC (=C1) OCCF) C (=O) O

Molecular Formula

C9H9FO3

Molecular Weight

184.16 g/mol

Controlled

Chemical Information

3-(2-Fluoroethoxy)benzoic acid

CAS Number	1365939-11-2
PubChem CID	80502554
IUPAC Name	3-(2-fluoroethoxy)benzoic acid
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

C1=CC(=CC(=C1)OCCF)C(=O)O

InChI

InChI=1S/C9H9FO3/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

BKHUIZAHSLIHSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1365939-11-2

CID: 80502554

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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
CLC91076-01	2- (2-Fluoroethoxy) benzoic acid
VFA30435-01	4- (2-Fluoroethoxy) benzoic acid
FF80270-01	3- (2-Fluoroethoxy) Propanenitrile
BAA76482-01	3- (2-Fluoroethoxy) aniline
BGC42582-01	3- (2-Fluoroethoxy) azetidine trifluoroacetate
UYB97995-01	3- (2-Fluoroethoxy) pyrrolidine hydrochloride
BAA54711	2- (2-Fluoroethoxy) aniline
EWB27079-01	2- (3-Formylphenoxymethyl) benzoic acid
MBA17474-01	2- (3-Nitrophenyl) benzoic acid
CAA79562-01	2- (3-Fluorophenoxy) benzoic acid

Catalog	Name
PC1011343	4- (2-fluoroethoxy) benzoic acid
PC1010719	3- (2-fluoroethoxy) -Benzoic acid
sc-506795	5-Chloro-2- (2-fluoroethoxy) benzoic acid
HY-N7138-01	2- (Phosphonooxy) benzoic acid
274602-01	2- (Diphenylphosphino) benzoic Acid
414128-01	2- (Cyanomethyl) benzoic Acid
414002-01	2- (Benzoylamino) benzoic acid
016245	2- (Methoxymethoxy) benzoic Acid
263637-01	2- (Bromomethyl) benzoic acid
TRC-A629360-100MG	2-(Aminosulfonyl)benzoic Acid