2,6-Difluoroanisole

CAT: 0127-PC0537-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-PC0537-01Size:10 g

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CAS Number

437-82-1

MDL Number

MFCD00142846

Purity

98%

Smiles

COc1c(F)cccc1F

Chemical Information

1,3-Difluoro-2-methoxybenzene

CAS Number	437-82-1
PubChem CID	2736897
IUPAC Name	1,3-difluoro-2-methoxybenzene
Molecular Formula	C7H6F2O
Molecular Weight	144.12
XLogP	2.1
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	97

SMILES

COC1=C(C=CC=C1F)F

InChI

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

InChIKey

IOBWAHRFIPQEQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 437-82-1

CID: 2736897

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	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	97.8
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