(2E) -3- (4-Fluorophenyl) -2-Propenenitrile

CAT: 1596-AR-A05560-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05560-01Size:10 Units

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CAS Number

27530-50-3

Molecular Formula

C9H6FN

Molecular Weight

147.15

API Name

Acrylonitrile

Chemical Information

4-Fluorocinnamonitrile

CAS Number	27530-50-3
PubChem CID	5372942
IUPAC Name	(E)-3-(4-fluorophenyl)prop-2-enenitrile
Molecular Formula	C9H6FN
Molecular Weight	147.15
XLogP	2.2
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	181

SMILES

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

InChI

InChI=1S/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+

InChIKey

WVWTVBZOOBKCKI-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 27530-50-3

CID: 5372942

Formula: C9H6FN

MW: 147.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.15
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.048427358
Monoisotopic Mass	147.048427358
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-F09732-01	(2E,4Z) -2,4-Nonadienal
AR-F09734-01	(2E,4Z) -2,4-Decadienal
AR-P30702-01	(2E) -4-Methyl-2-pentenenitrile
AR-C01173-01	2- (4-fluorophenyl) thiophene
AR-T01872-01	3- (4-Fluorophenyl) -Thiophene
AR-F09741-01	(2E,4E) -2,4-Dodecadienoic Acid
AR-P29428-01	Ethyl 2-cyclopropyl-4- (4-fluorophenyl) -quinolyl-3-carboxylate
AR-F09549-01	Flurbirprofen 2- (4-amino-3-fluorophenyl) Diethylester Impurity
AR-C02906-01	(E) -3- (4-Fluorophenyl) -2-Propen-1-ol
AR-M01965-01	(2E,4E) -4- (pyridin-2-ylimino) but-2-enoicacid

Catalog	Name
TRC-F587235-1G	(2E)-2-[(4-Fluorophenyl)methylene]hydrazinecarbothioamide
421524-01	(2E) -2-[ (4-Fluorophenyl) methylene]hydrazinecarbothioamide
PC100167-01	Ethyl (2E) -3- (4-fluorophenyl) -2-propenoate
FF84767	(2E) -3- (4-Fluorophenyl) -2-Butenoic Acid
TRC-F587260-5MG	(2E)-2-[(4-Fluorophenyl)methylene]-N-phenylhydrazinecarbothioamide
PC106108	(2E) -3- (4-Fluorophenyl) but-2-enoic acid
PC106106	(2E) -3- (4-Fluorophenyl) -4-methylpent-2-enoic acid
PC106109	(2E) -3- (4-Fluorophenyl) hex-2-enoic acid
PC28041-01	4-Fluorophenyl (2E) -3- (dimethylamino) prop-2-enoate
421561-01	(2E) -3- (4-Bromo-2-fluorophenyl) prop-2-enamide