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2-Fluoro-3,6-dimethoxybenzamide

CAT: 0127-PC1010873-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010873-01Size:250 mg
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CAS Number
1379077-97-0
MDL Number
MFCD19439917
Purity
97%
Smiles
C1 (ccc (c (c1F) C (=O) N) OC) OC

Chemical Information

2-Fluoro-3,6-dimethoxybenzamide
CAS Number1379077-97-0
PubChem CID129914336
IUPAC Name2-fluoro-3,6-dimethoxybenzamide
Molecular FormulaC9H10FNO3
Molecular Weight199.18
XLogP-0.1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
COC1=C(C(=C(C=C1)OC)F)C(=O)N
InChI
InChI=1S/C9H10FNO3/c1-13-5-3-4-6(14-2)8(10)7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKey
QTAFGSQYERBLLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-3,6-dimethoxybenzamide
CAS: 1379077-97-0
CID: 129914336
Formula: C9H10FNO3
MW: 199.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.18
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass199.06447134
Monoisotopic Mass199.06447134
Topological Polar Surface Area61.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
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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