4- (4-fluorophenoxy) butanoic acid

CAT: 0024-sc-276759Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-276759Size:1 g

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CAS Number

1549-77-5

Chemical Information

4-(4-Fluorophenoxy)butanoic acid

CAS Number	1549-77-5
PubChem CID	12243560
IUPAC Name	4-(4-fluorophenoxy)butanoic acid
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

C1=CC(=CC=C1OCCCC(=O)O)F

InChI

InChI=1S/C10H11FO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)

InChIKey

NOAUECWRUPGSOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1549-77-5

CID: 12243560

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
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
sc-347655	4- (2-fluorophenoxy) butanoic acid
sc-347655A	4- (2-fluorophenoxy) butanoic acid
sc-320782	2- (4-Fluorophenoxy) butanoic acid
sc-347856A	4- (3-fluorophenoxy) butanoic acid
sc-347856	4- (3-fluorophenoxy) butanoic acid
sc-232237	4- (4-Fluorophenoxy) phenylacetic acid
sc-226383	4- (4-Fluorophenoxy) benzoic acid
sc-347984	4- (4-chlorophenoxy) butanoic acid
sc-276772	4- (4-methoxyphenoxy) butanoic acid
sc-483942	4- (4-Bromophenyl) butanoic acid

Catalog	Name
FF80324-01	4- (4-Fluorophenoxy) Butanoic Acid
PC103437-01	2- (4-Fluorophenoxy) butanoic acid
CAA25261-01	4- (2-Fluorophenoxy) butanoic acid
CWB84396-01	2- (4-Bromo-2-fluorophenoxy) butanoic acid
LGA79023-01	2- (2-Fluorophenoxy) butanoic acid
TCA89601-01	4- (Triethoxysilyl) butanoic acid
SBA85645-01	4- (Benzylcarbamoyl) butanoic acid
HBA39197-01	4- (Methylsulfanyl) butanoic acid
TRC-B291563-250MG	4-(Benzyloxy)butanoic Acid
FBA43623-01	4- (Diethylcarbamoyl) butanoic acid