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

CAT: 0127-PC902056-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC902056-01Size:1 g

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CAS Number

320-12-7

MDL Number

MFCD11870101

Purity

98%

Smiles

CC(C)(O)c1ccccc1F

Chemical Information

2-Fluoro-alpha,alpha-dimethylbenzenemethanol

CAS Number	320-12-7
PubChem CID	43810087
IUPAC Name	2-(2-fluorophenyl)propan-2-ol
Molecular Formula	C9H11FO
Molecular Weight	154.18
XLogP	1.7
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=C1F)O

InChI

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

InChIKey

JNAFCVRVHMQOCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 320-12-7

CID: 43810087

Formula: C9H11FO

MW: 154.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.18
XLogP3	1.7
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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