3-Fluoro-4-methylanisole

CAT: 0926-FF68103-04Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FF68103-04Size:100 g

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CAS Number

405-06-1

MDL Number

MFCD00143163

Smiles

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

Molecular Formula

C8H9FO

Molecular Weight

140.15 g/mol

Controlled

Chemical Information

3-Fluoro-4-methylanisole

CAS Number	405-06-1
PubChem CID	2774571
IUPAC Name	2-fluoro-4-methoxy-1-methylbenzene
Molecular Formula	C8H9FO
Molecular Weight	140.15
XLogP	2.9
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=C(C=C1)OC)F

InChI

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

InChIKey

WQOHEWKWIJOAHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 405-06-1

CID: 2774571

Formula: C8H9FO

MW: 140.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.15
XLogP3	2.9
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
NAA33471	4-Chloro-3-methylanisole
FB10592-01	3-Bromo-4-methylanisole
FI64636-01	4-Iodo-2-methylanisole
BCA69989-01	2,6-Dibromo-4-Methylanisole
EHA89795	4-Bromo-2-chloro-5-methylanisole
FC69827	5-Chloro-2-methylanisole
CCA20069	2-Bromo-6-methylanisole
FI55613-01	5-Iodo-2-methylanisole
FI165989-01	2-Isopropyl-5-methylanisole
LAC94429-01	3-Fluoro-4- (4-fluoro-2-hydroxyphenyl) phenol