2-Fluoro-5-methylanisole

CAT: 0127-PC0083Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC0083Size:1 g

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CAS Number

63762-78-7

Synonyms

4-Fluoro-3-methoxytoluene

MDL Number

MFCD00665791

Purity

98%

Smiles

COc1cc(C)ccc1F

Chemical Information

2-Fluoro-5-methylanisole

CAS Number	63762-78-7
PubChem CID	2737372
IUPAC Name	1-fluoro-2-methoxy-4-methylbenzene
Molecular Formula	C8H9FO
Molecular Weight	140.15
XLogP	2.5
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=CC(=C(C=C1)F)OC

InChI

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

InChIKey

MOFZLPPSEOEXNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63762-78-7

CID: 2737372

Formula: C8H9FO

MW: 140.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.15
XLogP3	2.5
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-230311	2-Fluoro-5-methylanisole
416034-01	2-Bromo-5-fluoro-4-methylanisole
sc-274834	2-Fluoro-4-methylanisole
276590-01	4-Fluoro-2-methylanisole
sc-299986	6-Chloro-2-fluoro-3-methylanisole
FF68103-01	3-Fluoro-4-methylanisole
sc-232699	4-Fluoro-3-methylanisole
FC69827	5-Chloro-2-methylanisole
I247735	2-Isopropyl-5-methylanisole
sc-298387A	2-Chloro-6-fluoro-3-methylanisole