4-Ethoxy-2,3-difluorophenol

CAT: 0127-PC303083-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC303083-01Size:1 g

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CAS Number

126163-56-2

MDL Number

MFCD07368025

Purity

=95%

Smiles

CCOc1ccc(O)c(F)c1F

Chemical Information

4-Ethoxy-2,3-difluorophenol

CAS Number	126163-56-2
PubChem CID	14495763
IUPAC Name	4-ethoxy-2,3-difluorophenol
Molecular Formula	C8H8F2O2
Molecular Weight	174.14
XLogP	2.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

CCOC1=C(C(=C(C=C1)O)F)F

InChI

InChI=1S/C8H8F2O2/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4,11H,2H2,1H3

InChIKey

PKIYFPSPIFCDDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126163-56-2

CID: 14495763

Formula: C8H8F2O2

MW: 174.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.14
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	174.04923582
Monoisotopic Mass	174.04923582
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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
126163-56-2-01	4-Ethoxy-2,3-difluorophenol
sc-231999	3,4-Difluorophenol
Fr14501	2,4-Difluorophenol
sc-284126	4-Amino-2,3-difluorophenol
90026656	4-Bromo-2,3-difluorophenol
FC78450	3-Chloro-2,4-difluorophenol
LAC63463-01	4-Chloro-2,3-difluorophenol
sc-256282	2,3-Difluorophenol
BFB44047-01	4- (2-Aminoethyl) -3,5-difluorophenol
ETC10315-01	4- (1-Aminocyclohexyl) -2,3-difluorophenol