2-[ (2-Fluorophenyl) methylidene]propanedinitrile

CAT: 0127-PC28119-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-PC28119-01Size:500 mg

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CAS Number

2698-43-3

MDL Number

MFCD00224065

Purity

Tech

Smiles

Fc1ccccc1C=C(C#N)C#N

Chemical Information

(2-Fluorobenzylidene)malononitrile

CAS Number	2698-43-3
PubChem CID	17606
IUPAC Name	2-[(2-fluorophenyl)methylidene]propanedinitrile
Molecular Formula	C10H5FN2
Molecular Weight	172.16
XLogP	2
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	283

SMILES

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

InChI

InChI=1S/C10H5FN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

InChIKey

XLEWRBXVBOUONK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2698-43-3

CID: 17606

Formula: C10H5FN2

MW: 172.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	172.04367633
Monoisotopic Mass	172.04367633
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	283
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
OR32985-01	2-[ (4-Methoxyphenyl) methylidene]propanedinitrile
OR1042846-01	2-[ (naphthalen-2-yl) methylidene]propanedinitrile
PC28120-01	2-[ (2-Fluorophenyl) methyl]propanedinitrile
OR303960-01	2-[Methoxy (naphthalen-1-yl) methylidene]propanedinitrile
OR32507-01	2-[ (3-Chloro-4-methoxyphenyl) methylidene]propanedinitrile
OR46633-01	2-[ (Methylamino) methylene]propanedinitrile
OR52959-01	2- (Methoxymethylidene) propanedinitrile
OR77834-01	2- (2-Methylcyclohexylidene) propanedinitrile
PC27966-01	3-[ (1E) - (Dimethylamino) methylidene]-1- (2-fluorophenyl) thiourea
PC27958-01	(2Z) -2-[ (2-Fluorophenyl) methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Catalog	Name
GBA29760-01	2-[ (Dimethylamino) (methylsulfanyl) methylidene]propanedinitrile
AK HB 0204-01	2-[ (3-phenylanilino) methylidene]propanedinitrile
TAA77138-01	2-[Bis (ethylsulfanyl) methylidene]propanedinitrile
AK HB 0217-01	2-[ (4-methylanilino) methylidene]propanedinitrile
AK HB 0207-01	2-[ (4-bromoanilino) methylidene]propanedinitrile
AK HB 0100-01	2-[ (4-cyanoanilino) methylidene]propanedinitrile
AK HB 0077-01	2-[ (4-acetylanilino) methylidene]propanedinitrile
CAA82628-01	2-{[4- (Dimethylamino) phenyl]methylidene}propanedinitrile
AL BX 0279-01	2-[[4- (difluoromethoxy) phenyl]methylidene]propanedinitrile
AK HB 0216-01	2-[ (4-propan-2-ylanilino) methylidene]propanedinitrile