4-Fluoro-2-methoxybenzonitrile

CAT: 0127-PC1109-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1109-01Size:5 g

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CAS Number

191014-55-8

Synonyms

4-Fluoro-o-anisonitrile, 2-Cyano-5-fluoroanisole

MDL Number

MFCD04116335

Purity

97%

Smiles

COc1cc(F)ccc1C#N

Chemical Information

4-Fluoro-2-methoxybenzonitrile

CAS Number	191014-55-8
PubChem CID	2783329
IUPAC Name	4-fluoro-2-methoxybenzonitrile
Molecular Formula	C8H6FNO
Molecular Weight	151.14
XLogP	2.5
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	174

SMILES

COC1=C(C=CC(=C1)F)C#N

InChI

InChI=1S/C8H6FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3

InChIKey

HGBKZVIQHCUHRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191014-55-8

CID: 2783329

Formula: C8H6FNO

MW: 151.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.14
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.043341977
Monoisotopic Mass	151.043341977
Topological Polar Surface Area	33 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174
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
PC1358-01	2-Fluoro-4-methoxybenzonitrile
PC3798-01	3-Fluoro-4-methoxybenzonitrile
PC6788	4-Fluoro-3-methoxybenzonitrile
PC1024241-01	3-Bromo-2-fluoro-4-methoxybenzonitrile
PC1014641-01	4-acetyl-3-fluoro-2-methoxybenzonitrile
PC1014575-01	2-fluoro-4- (hydroxymethyl) -5-methoxybenzonitrile
PC1005312-01	2-Bromo-4-fluoro-5-methoxybenzonitrile
PC110308-01	2-Bromo-3-fluoro-4-methoxybenzonitrile
PC905561-01	4-Amino-2-fluoro-5-methoxybenzonitrile
PC48591-01	4-Bromo-2-fluoro-3-methoxybenzonitrile

Catalog	Name
417817-01	2-Fluoro-4-methoxybenzonitrile
sc-261923	4-Fluoro-2-methoxybenzonitrile
FF69979-01	3-Fluoro-4-methoxybenzonitrile
sc-261947	4-Fluoro-3-methoxybenzonitrile
2091302-91-7	2-FLUORO-4-HYDROXY-6-METHOXYBENZONITRILE
XJA07137-01	4-Amino-5-fluoro-2-methoxybenzonitrile
HTA05115-01	4-Bromo-2-fluoro-6-methoxybenzonitrile
sc-504294	4-Bromo-2-fluoro-3-methoxybenzonitrile
EFC36631-01	5-Bromo-4-fluoro-2-methoxybenzonitrile
430169-01	4-Amino-2-fluoro-5-methoxybenzonitrile