3-Fluoro-5-methoxybenzonitrile

CAT: 0926-FF70344-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FF70344-01Size:5 g

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CAS Number

439280-18-9

Synonyms

5-Fluoro-3-methoxybenzonitrile

MDL Number

MFCD06797883

Smiles

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

Molecular Formula

C8H6FNO

Molecular Weight

151.14 g/mol

Controlled

Chemical Information

3-Fluoro-5-methoxybenzonitrile

CAS Number	439280-18-9
PubChem CID	10630684
IUPAC Name	3-fluoro-5-methoxybenzonitrile
Molecular Formula	C8H6FNO
Molecular Weight	151.14
XLogP	1.7
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=CC(=CC(=C1)C#N)F

InChI

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

InChIKey

GWZXPLKMHPCXDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 439280-18-9

CID: 10630684

Formula: C8H6FNO

MW: 151.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.14
XLogP3	1.7
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
FF69980-01	5-Fluoro-2-methoxybenzonitrile
FF64148-01	2-Fluoro-5-methoxybenzonitrile
FF69979-01	3-Fluoro-4-methoxybenzonitrile
FF70468-01	4-Fluoro-3-methoxybenzonitrile
XJA07137-01	4-Amino-5-fluoro-2-methoxybenzonitrile
EFC36631-01	5-Bromo-4-fluoro-2-methoxybenzonitrile
ZEA99353-01	3-Hydroxy-5-methoxybenzonitrile
FF36936-01	2-Fluoro-4-methoxybenzonitrile
FD69880-01	3,5-Dibromo-4-methoxybenzonitrile
PDA02913-01	3,4-Dihydroxy-5-methoxybenzonitrile

Catalog	Name
sc-260971	3-Fluoro-5-methoxybenzonitrile
sc-256143	2-Fluoro-5-methoxybenzonitrile
PC14564-01	5-Fluoro-2-methoxybenzonitrile
PC1024244-01	3-bromo-5-fluoro-4-methoxybenzonitrile
PC51526-01	2-Chloro-5-fluoro-3-methoxybenzonitrile
PC1023397	5-Bromo-3-fluoro-2-methoxybenzonitrile
PC1014096-01	3-bromo-4-fluoro-5-methoxybenzonitrile
sc-276156	3-Chloro-5-fluoro-4-methoxybenzonitrile
PC1009847	3-Bromo-5-fluoro-2-methoxybenzonitrile
PC1005450-01	2-Amino-5-fluoro-3-methoxybenzonitrile