2,5-Difluoro-3-methylphenol

CAT: 0127-PC1012975-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1012975-01Size:250 mg

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CAS Number

1803786-42-6

MDL Number

MFCD28790487

Purity

97%

Smiles

Fc1c (C) cc (F) cc1O

Chemical Information

2,5-Difluoro-3-methylphenol

CAS Number	1803786-42-6
PubChem CID	121591839
IUPAC Name	2,5-difluoro-3-methylphenol
Molecular Formula	C7H6F2O
Molecular Weight	144.12
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

CC1=CC(=CC(=C1F)O)F

InChI

InChI=1S/C7H6F2O/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,1H3

InChIKey

VRODIMUFGKGXBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803786-42-6

CID: 121591839

Formula: C7H6F2O

MW: 144.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	144.03867113
Monoisotopic Mass	144.03867113
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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
PC1022179	2,3-Difluoro-5-methylphenol
PC1022262	3,5-Difluoro-2-methylphenol
PC1010859	2,4-Difluoro-5-methylphenol
PC56014-01	4,5-Difluoro-2-methylphenol
PC1013203-01	3,4-Difluoro-5-methylphenol
PC1020269-01	3,5-Difluoro-4-methylphenol
PC1024742-01	5-Bromo-2,3-difluoro-4-methylphenol
PC1016638	5-Bromo-2,4-difluoro-3-methylphenol
PC910268	2,4-Difluoro-3-methoxy-5-methylphenol
PC1025410	2,4-Difluoro-3-methylphenol

Catalog	Name
419672-01	2,3-Difluoro-4-methylphenol
sc-266204	2,6-Difluoro-3-methylphenol
430918-01	4-Bromo-2,6-difluoro-3-methylphenol
RG-A263555-01	3,5-Dimethoxy-2-Methylphenol
YXC88275-01	2-Amino-3-fluoro-5-methylphenol
FXC45585-01	2-Chloro-5-fluoro-3-methylphenol
FWC80051-01	2-Bromo-3-chloro-5-methylphenol
424155-01	3-Bromo-2-fluoro-5-methylphenol
IHA80306-01	5-Iodo-2-methylphenol
FA67402-01	2-Amino-5-methylphenol