2- (2,3,6-Trifluorophenyl) propanedinitrile

CAT: 0926-DXC59032-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC59032-01Size:50 mg

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CAS Number

1803590-32-0

MDL Number

MFCD28505940

Smiles

C1=CC (=C (C (=C1F) C (C#N) C#N) F) F

Molecular Formula

C9H3F3N2

Molecular Weight

196.13 g/mol

Controlled

Chemical Information

2-(2,3,6-Trifluorophenyl)propanedinitrile

CAS Number	1803590-32-0
PubChem CID	119031412
IUPAC Name	2-(2,3,6-trifluorophenyl)propanedinitrile
Molecular Formula	C9H3F3N2
Molecular Weight	196.13
XLogP	1.9
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	284

SMILES

C1=CC(=C(C(=C1F)C(C#N)C#N)F)F

InChI

InChI=1S/C9H3F3N2/c10-6-1-2-7(11)9(12)8(6)5(3-13)4-14/h1-2,5H

InChIKey

PBNMFLPOBUPOBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803590-32-0

CID: 119031412

Formula: C9H3F3N2

MW: 196.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.13
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.02483259
Monoisotopic Mass	196.02483259
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	284
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
DXC58526-01	2- (2,3,5-Trifluorophenyl) propanedinitrile
MKD83661-01	(2,3,6-Trifluorophenyl) hydrazine hydrochloride
FCC32434-01	1- (2,3,6-Trifluorophenyl) propan-2-one
BBB32673-01	(6-Bromo-2,3,4-trifluorophenyl) methanol
LUB11116-01	2-Hydroxy-6- (2,4,6-trifluorophenyl) pyridine
DXC59564-01	2- (Pyridazin-3-yl) propanedinitrile
JFB44328-01	1- (2,4,6-Trifluorophenyl) piperazine
SSC52186-01	2- (3,4-Difluorophenyl) propanedinitrile
AAC11383	1- (2,4,6-Trifluorophenyl) ethanol
YCA77646-01	2- (Cyclohexylmethylidene) propanedinitrile

Catalog	Name
AK HB 0204-01	2-[ (3-phenylanilino) methylidene]propanedinitrile
OR52959-01	2- (Methoxymethylidene) propanedinitrile
OR77834-01	2- (2-Methylcyclohexylidene) propanedinitrile
JH913444	2- (6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene) -propanedinitrile
1787250-55-8-01	2-[3,6-bis (diphenylamino) -9H-fluoren-9-ylidene]propanedinitrile
MBS6107911-01	2-(1-Naphthalenylcarbonyl)propanedinitrile
OR32566-01	2- (1-Phenylethylidene) propanedinitrile
PC28119-01	2-[ (2-Fluorophenyl) methylidene]propanedinitrile
BG FA 0862-01	2- (1,4,5,6-tetrahydropyrimidin-2-yl) propanedinitrile
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