4-Fluoro-2-methylphenol

CAT: 0127-PC3823L-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC3823L-01Size:1 g

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CAS Number

452-72-2

Synonyms

5-Fluoro-2-hydroxytoluene

MDL Number

MFCD00075088

Purity

=95%

Smiles

Cc1cc(F)ccc1O

Chemical Information

4-Fluoro-2-methylphenol

CAS Number	452-72-2
PubChem CID	136295
IUPAC Name	4-fluoro-2-methylphenol
Molecular Formula	C7H7FO
Molecular Weight	126.13
XLogP	1.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CC1=C(C=CC(=C1)F)O

InChI

InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey

GKQDDKKGDIVDAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 452-72-2

CID: 136295

Formula: C7H7FO

MW: 126.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.13
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.048093005
Monoisotopic Mass	126.048093005
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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
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PC500328-01	4-Fluoro-5-iodo-2-methylphenol
PC99423-01	4-Bromo-5-fluoro-2-methylphenol
PC500324-01	5-Amino-2-fluoro-4-methylphenol
PC500313-01	2-Fluoro-5-iodo-4-methylphenol
PC910257	4-Fluoro-2-methoxy-5-methylphenol
PC1018779-01	4- (Benzyloxy) -3-fluoro-2-methylphenol