3- (3-Fluorophenyl) propan-1-ol

CAT: 0127-PC1003764-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1003764-01Size:250 mg

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CAS Number

156868-83-6

MDL Number

MFCD09028717

Purity

95%

Smiles

OCCCC1=CC=CC(F)=C1

Chemical Information

3-(3-Fluorophenyl)propan-1-OL

CAS Number	156868-83-6
PubChem CID	14943416
IUPAC Name	3-(3-fluorophenyl)propan-1-ol
Molecular Formula	C9H11FO
Molecular Weight	154.18
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	106

SMILES

C1=CC(=CC(=C1)F)CCCO

InChI

InChI=1S/C9H11FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2

InChIKey

VXWCHEGRBQAVQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 156868-83-6

CID: 14943416

Formula: C9H11FO

MW: 154.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.18
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	154.079393132
Monoisotopic Mass	154.079393132
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
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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PC1023952-01	1- (3-bromo-2-fluorophenyl) propan-1-ol
PC910933-01	3-Chloro-1- (4-fluorophenyl) propan-1-ol

Catalog	Name
WQB92802-01	1- (3-Fluorophenyl) propan-2-ol
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AK ML 0334-01	3-amino-3- (3-fluorophenyl) propan-1-ol
AAA70147	1- (4-Fluorophenyl) propan-1-ol
MZA53214	3-Amino-3- (2-fluorophenyl) propan-1-ol
AK ML 0336-01	3-amino-3- (4-fluorophenyl) propan-1-ol
TEC91111-01	1-Amino-3- (3-fluorophenyl) propan-2-ol
TDC66457-01	1- (3-Chloro-2-fluorophenyl) propan-1-ol
424802-01	3-Chloro-1- (4-fluorophenyl) propan-1-ol