2-Fluoro-4,5-dimethylphenol

CAT: 0127-PC1021836Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1021836Size:1 Each

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CAS Number

709031-97-0

MDL Number

MFCD15527212

Purity

95%

Smiles

C1 (c (cc (c (c1) O) F) C) C

Chemical Information

2-Fluoro-4,5-dimethylphenol

CAS Number	709031-97-0
PubChem CID	49833128
IUPAC Name	2-fluoro-4,5-dimethylphenol
Molecular Formula	C8H9FO
Molecular Weight	140.15
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=CC(=C(C=C1C)F)O

InChI

InChI=1S/C8H9FO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3

InChIKey

WTWJHHYJRKHPLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 709031-97-0

CID: 49833128

Formula: C8H9FO

MW: 140.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.15
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.063743068
Monoisotopic Mass	140.063743068
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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