1- (2,3-Difluorophenyl) ethanol

CAT: 0127-PC911367-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC911367-01Size:1 g

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CAS Number

1228690-56-9

MDL Number

MFCD18911748

Purity

95%

Smiles

CC(O)c1cccc(F)c1F

Chemical Information

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

CAS Number	1228690-56-9
PubChem CID	53446341
IUPAC Name	1-(2,3-difluorophenyl)ethanol
Molecular Formula	C8H8F2O
Molecular Weight	158.14
XLogP	1.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C8H8F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3

InChIKey

IWMIWBJLOWDKSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1228690-56-9

CID: 53446341

Formula: C8H8F2O

MW: 158.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	158.14
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.05432120
Monoisotopic Mass	158.05432120
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
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PC1013538	1- (4-bromo-2,3-difluorophenyl) ethanol
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PC1014042-01	1- (3-Chloro-2,4-difluorophenyl) ethanol
PC1020343-01	1- (4-cyclobutyl-2,3-difluorophenyl) ethanol
PC1023273-01	1- (3-Chloro-2,6-difluorophenyl) ethanol

Catalog	Name
MJB25556	2- (2,5-Difluorophenyl) ethanol
sc-332412A	1- (2,4-difluorophenyl) ethanol
sc-341092A	2-amino-1- (3,4-difluorophenyl) ethanol
sc-332446	1- (2,5-difluorophenyl) ethanol
sc-302228	1- (3,5-Difluorophenyl) ethanol
sc-334520	(1S) -2-chloro-1- (3,4-difluorophenyl) ethanol
sc-334354	(1R) -2-chloro-1- (3,4-difluorophenyl) ethanol
465359-01	S-2-Chloro-1- (3,4-difluorophenyl) ethanol
sc-334418A	(1S) -1- (2,6-difluorophenyl) ethanol
sc-334411A	(1S) -1- (2,5-difluorophenyl) ethanol