2- (3-Fluorophenyl) propan-2-ol

CAT: 0127-PC902057-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC902057-01Size:1 g

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CAS Number

401-76-3

MDL Number

MFCD11870100

Purity

97%

Smiles

CC(C)(O)c1cccc(F)c1

Chemical Information

2-(3-Fluorophenyl)propan-2-ol

CAS Number	401-76-3
PubChem CID	314548
IUPAC Name	2-(3-fluorophenyl)propan-2-ol
Molecular Formula	C9H11FO
Molecular Weight	154.18
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

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

InChI

InChI=1S/C9H11FO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3

InChIKey

HJYNFYSNULPWRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 401-76-3

CID: 314548

Formula: C9H11FO

MW: 154.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.18
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	154.079393132
Monoisotopic Mass	154.079393132
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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

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PC1010584-01	2- (4-bromo-3-fluorophenyl) propan-2-ol
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PC1024022	2- (3-bromo-5-fluorophenyl) propan-2-ol
PC1010717-01	2- (3-bromo-4-fluorophenyl) propan-2-ol

Catalog	Name
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413190-01	2- (2-Fluorophenyl) propan-2-ol
HMC46589-01	1- (3-Chloro-2-fluorophenyl) propan-2-ol
MZA53214	3-Amino-3- (2-fluorophenyl) propan-1-ol
TEC91111-01	1-Amino-3- (3-fluorophenyl) propan-2-ol
PDC34182-01	1-Amino-2- (3-fluorophenyl) propan-2-ol
UFC04202-01	1- (2-Bromo-3-fluorophenyl) propan-2-ol
JCA66720-01	2- (4-Fluorophenyl) propan-1-ol