2-Fluoroterephthalonitrile

CAT: 0127-PC201186-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC201186-01Size:100 mg

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CAS Number

1897-53-6

MDL Number

MFCD01657004

Purity

98%

Smiles

Fc1cc(ccc1C#N)C#N

Chemical Information

1,4-Benzenedicarbonitrile, 2-fluoro-

CAS Number	1897-53-6
PubChem CID	121194
IUPAC Name	2-fluorobenzene-1,4-dicarbonitrile
Molecular Formula	C8H3FN2
Molecular Weight	146.12
XLogP	1.5
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	231

SMILES

C1=CC(=C(C=C1C#N)F)C#N

InChI

InChI=1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H

InChIKey

DULBJBXBNLVFBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1897-53-6

CID: 121194

Formula: C8H3FN2

MW: 146.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.12
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	146.02802627
Monoisotopic Mass	146.02802627
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	231
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

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