4-Fluoro-3-methylanisole

CAT: 0024-sc-232699Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232699Size:5 g

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CAS Number

2338-54-7

Chemical Information

4-Fluoro-3-methylanisole

CAS Number	2338-54-7
PubChem CID	137546
IUPAC Name	1-fluoro-4-methoxy-2-methylbenzene
Molecular Formula	C8H9FO
Molecular Weight	140.15
XLogP	2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=C(C=CC(=C1)OC)F

InChI

InChI=1S/C8H9FO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3

InChIKey

XZBXPBDJLUJLEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2338-54-7

CID: 137546

Formula: C8H9FO

MW: 140.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.15
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.063743068
Monoisotopic Mass	140.063743068
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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
sc-274834	2-Fluoro-4-methylanisole
sc-232874	4-Methylanisole
sc-267397	4-Chloro-3-methylanisole
sc-232479	4-Bromo-3-methylanisole
sc-276143	3-Chloro-4-methylanisole
sc-299986	6-Chloro-2-fluoro-3-methylanisole
sc-298387A	2-Chloro-6-fluoro-3-methylanisole
sc-299986A	6-Chloro-2-fluoro-3-methylanisole
sc-298387	2-Chloro-6-fluoro-3-methylanisole
sc-223550	3-Methylanisole