2,3-Difluorophenethyl alcohol

CAT: 0127-PC3857-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

126163-30-2

Synonyms

2- (2,3-Difluorophenyl) ethan-1-ol

MDL Number

MFCD01862011

Purity

98%

Smiles

OCCc1cccc(F)c1F

Chemical Information

2-(2,3-Difluorophenyl)ethanol

CAS Number	126163-30-2
PubChem CID	2774207
IUPAC Name	2-(2,3-difluorophenyl)ethanol
Molecular Formula	C8H8F2O
Molecular Weight	158.14
XLogP	1.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

C1=CC(=C(C(=C1)F)F)CCO

InChI

InChI=1S/C8H8F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2

InChIKey

RBNNHALDGIKSBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126163-30-2

CID: 2774207

Formula: C8H8F2O

MW: 158.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.14
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	158.05432120
Monoisotopic Mass	158.05432120
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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
OR1081112	2,3-Dibromobenzyl alcohol
OR919570-01	2,3-Dimethoxybenzyl alcohol
OR919849-01	2,3-Dichlorobenzyl alcohol
PC2729-01	2,3-Difluorobenzyl alcohol
OR24912-01	2,3-Dimethylbenzyl alcohol
OR401053-01	2-Iodo-3-nitrobenzyl alcohol
OR16662-01	3-Bromo-2-methylbenzyl alcohol
OR51830-01	2-Amino-3-methylbenzyl alcohol
PC501154-01	3-Fluoro-2-nitrobenzyl alcohol
PC0060-01	3-Chloro-2-fluorobenzyl alcohol

Catalog	Name
FD71165-01	2,3-Dimethoxybenzyl alcohol
FD67571-01	2,3-Dichlorobenzyl alcohol
159863	2,3-Dimethoxybenzylic Alcohol
419697-01	2,3-Difluorobenzyl alcohol
FC55539-01	3-Chloro-2-nitrobenzyl alcohol
419921-01	2,3,4-Trihydroxybenzyl Alcohol
417702-01	2-Fluoro-3-methylbenzyl alcohol
RG-E141781-01	2-Hydroxy-3-methoxybenzyl alcohol
TRC-T795690-100G	2,3,4-Trimethoxybenzyl Alcohol
sc-356715	3-Fluoro-2-methylbenzyl alcohol