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2,4-Dimethoxy-5-fluoronitrobenzene

CAT: 0024-sc-322075Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-322075Size:1 g
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CAS Number
195136-62-0

Chemical Information

2,4-Dimethoxy-5-fluoronitrobenzene
CAS Number195136-62-0
PubChem CID2758414
IUPAC Name1-fluoro-2,4-dimethoxy-5-nitrobenzene
Molecular FormulaC8H8FNO4
Molecular Weight201.15
XLogP1.8
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity208
SMILES
COC1=CC(=C(C=C1[N+](=O)[O-])F)OC
InChI
InChI=1S/C8H8FNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3
InChIKey
KADJLLXINJRFKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxy-5-fluoronitrobenzene
CAS: 195136-62-0
CID: 2758414
Formula: C8H8FNO4
MW: 201.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass201.04373590
Monoisotopic Mass201.04373590
Topological Polar Surface Area64.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
VHA136622,4-Dimethoxy-5-fluoronitrobenzene
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PC8376-014,5-Dichloro-2-fluoronitrobenzene
PC2431-012,4-Dichloro-5-fluoronitrobenzene
PC99209-012,5-Dibromo-4-fluoronitrobenzene
abx188214-012-Bromo-4-Chloro-5-Fluoronitrobenzene
PC502333-014-Bromo-5- (difluoromethoxy) -2-fluoronitrobenzene
PC48769-015-Bromo-2-chloro-4-fluoronitrobenzene
PC49659-012-Bromo-5-chloro-4-fluoronitrobenzene
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