1,3-Dimethoxy-2-fluorobenzene

CAT: 0127-PC50201Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

195136-68-6

MDL Number

MFCD12547873

Purity

97%

Smiles

COc1cccc(OC)c1F

Chemical Information

2-Fluoro-1,3-dimethoxybenzene

CAS Number	195136-68-6
PubChem CID	10796995
IUPAC Name	2-fluoro-1,3-dimethoxybenzene
Molecular Formula	C8H9FO2
Molecular Weight	156.15
XLogP	1.6
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	107

SMILES

COC1=C(C(=CC=C1)OC)F

InChI

InChI=1S/C8H9FO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3

InChIKey

CRUUUWHTBGBSQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 195136-68-6

CID: 10796995

Formula: C8H9FO2

MW: 156.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.15
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	156.05865769
Monoisotopic Mass	156.05865769
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	107
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
PC8190-01	1,3-Dimethoxy-5-fluorobenzene
PC3002-01	1,2-Dimethoxy-4-fluorobenzene
PC3001-01	1,4-Dimethoxy-2-fluorobenzene
PC1013029	1-Chloro-2,3-dimethoxy-4-fluorobenzene
PC2384	2-Bromo-3,5-dimethoxy-1-fluorobenzene
PC1025710	1-Bromo-2,3-dimethoxy-4-fluorobenzene
PC1004015	1-Bromo-3,6-dimethoxy-2-fluorobenzene
PC201193-01	1-Bromo-3,5-dimethoxy-4-fluorobenzene
PC1005106-01	1- (3-Bromopropyl) -2-fluorobenzene
PC99907-01	1,3-Dibromo-2-fluorobenzene

Catalog	Name
JH287401	1,2-DIMETHOXY-4-FLUOROBENZENE
FD15688-01	1,4-Dimethoxy-2-fluorobenzene
LEA95254-01	1- (3-Chloropropoxy) -2-fluorobenzene
sc-222957	1,3-Dichloro-2-fluorobenzene
sc-332115	1- (2-aminopropoxy) -3-fluorobenzene
KDA26257	1- (2-bromoethoxy) -3-fluorobenzene
FB81127	1- (3-Bromopropyl) -2-Fluorobenzene
sc-297333	1- (3-Bromopropoxy) -2-fluorobenzene
266896-01	3-Fluorobenzene-1,2-diol
sc-320294	1,2-Methylenedioxy-3-fluorobenzene