4-Fluoro-3-methylbenzonitrile

CAT: 1266-JH648406Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH648406Size:1 Each

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CAS Number

185147-08-4

HS Code

2933990099

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Molecular Formula

C8H6FN

Molecular Weight

135.14

Product Name Synonym

4-fluoro-3-methylbenzenecarbonitrile

Chemical Information

4-Fluoro-3-methylbenzonitrile

CAS Number	185147-08-4
PubChem CID	2779180
IUPAC Name	4-fluoro-3-methylbenzonitrile
Molecular Formula	C8H6FN
Molecular Weight	135.14
XLogP	2.7
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

CC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

InChIKey

ZMEAHKIIWJDJFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 185147-08-4

CID: 2779180

Formula: C8H6FN

MW: 135.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.14
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	135.048427358
Monoisotopic Mass	135.048427358
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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
JH39113	2-Amino-4-fluoro-5-methylbenzonitrile
JH919310	5-bromo-2,3-difluoro-4-methylbenzonitrile
JH553170	3-fluoro-4-methoxybenzenethiol
JH560757	3-Fluoro-4-methylbenzenesulfonyl chloride
JH919210	3-Fluoro-4- (methylthio) benzenamine
JH918482	4-Fluoro-3-methoxy-N-methylaniline
JH915674	2-Fluoro-3,4-dimethylbenzoyl chloride
JH109509	4-Bromo-3-fluoro-2-methylaniline
JH916817	3-amino-2-fluoro-4-iodophenol
JH110479	4-Bromo-2-fluoro-3-methylpyridine

Catalog	Name
sc-261950A	4-Fluoro-3-methylbenzonitrile
GTR19251542-01	3-Fluoro-4-methylbenzonitrile
432298-01	4-Fluoro-2-methylbenzonitrile
PC5912-01	2-Fluoro-4-methylbenzonitrile
PC1013085-01	3-bromo-4-fluoro-5-methylbenzonitrile
PC99534-01	4-Amino-3-fluoro-2-methylbenzonitrile
PC103448-01	4-Chloro-2-fluoro-3-methylbenzonitrile
PC1013193-01	3-bromo-2-fluoro-4-methylbenzonitrile
PC48590-01	4-Bromo-2-fluoro-3-methylbenzonitrile
PC99535	3-Fluoro-4-iodo-2-methylbenzonitrile