3,4-Difluoroanisole

CAT: 0127-PC2614H-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC2614H-01Size:5 g

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CAS Number

115144-40-6

Synonyms

1,2-Difluoro-4-methoxybenzene, 3,4-Difluorophenyl methyl ether

MDL Number

MFCD00010730

Purity

98%

Smiles

COc1ccc(F)c(F)c1

Chemical Information

3,4-Difluoroanisole

CAS Number	115144-40-6
PubChem CID	568250
IUPAC Name	1,2-difluoro-4-methoxybenzene
Molecular Formula	C7H6F2O
Molecular Weight	144.12
XLogP	2.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

COC1=CC(=C(C=C1)F)F

InChI

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

InChIKey

DSEVNUCNUTYYHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115144-40-6

CID: 568250

Formula: C7H6F2O

MW: 144.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	144.03867113
Monoisotopic Mass	144.03867113
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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