3- (3-fluorophenyl) -2-methylpropanoic acid

CAT: 0926-RBA20157-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA20157-01Size:250 mg

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CAS Number

41201-57-4

MDL Number

MFCD12152850

Smiles

CC (CC1=CC (=CC=C1) F) C (=O) O

Molecular Formula

C10H11O2F

Molecular Weight

182.19 g/mol

Controlled

Chemical Information

3-(3-Fluorophenyl)-2-methylpropanoic acid

CAS Number	41201-57-4
PubChem CID	21955847
IUPAC Name	3-(3-fluorophenyl)-2-methylpropanoic acid
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CC(CC1=CC(=CC=C1)F)C(=O)O

InChI

InChI=1S/C10H11FO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)

InChIKey

ZNGQTWWSSQMYIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41201-57-4

CID: 21955847

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
TDA74820-01	2- (3-Fluorophenyl) -2-methylpropanoic acid
KRB26279-01	2- (3-Chloro-2-fluorophenyl) -2-methylpropanoic acid
DWB83603-01	3-[ (4-Fluorophenyl) sulfanyl]-2-methylpropanoic acid
BAC20525-01	3- (3-Bromo-4-fluorophenyl) -2-methylpropanoic acid
VLB50165-01	2- (3-Chloro-4-fluorophenyl) -2-methylpropanoic acid
PCC65642-01	2- (3-Cyano-5-fluorophenyl) -2-methylpropanoic acid
GKC04742-01	3-[ (3-Fluorophenyl) sulfanyl]-2-hydroxy-2-methylpropanoic acid
NKD41454-01	3-Amino-2- (4-fluorophenyl) -2-methylpropanoic acid hydrochloride
KHD04234-01	2-Amino-3- (4-fluorophenyl) -2-methylpropanoic acid hydrochloride
BXB70257-01	2- (2-Chloro-6-fluorophenyl) -2-methylpropanoic acid

Catalog	Name
PC902034-01	2- (3-Fluorophenyl) -2-methylpropanoic acid
PC107132	3- (2-Fluorophenyl) -2-methylpropanoic acid
PC107176	3- (4-Fluorophenyl) -2-methylpropanoic acid
PC107247	3-[ (3-Fluorophenyl) sulfamoyl]-2-methylpropanoic acid
PC901552	2- (2-Fluorophenyl) -2-methylpropanoic acid
413778-01	2- (4-Fluorophenyl) -2-methylpropanoic acid
JH918250	2- (3-cyano-5-fluorophenyl) -2-methylpropanoic acid
TRC-F595620-10MG	3-[(4-Fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoic Acid
PC1006128-01	3- ((4-Fluorophenyl) thio) -2-hydroxy-2-methylpropanoic acid
PC1026982-01	3- ((4-Fluorophenyl) sulfinyl) -2-hydroxy-2-methylpropanoic acid