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Baroxavir impurity 17 (Standard)

CAT: 0804-HY-Z0853RSize: 1 EachDry Ice: NoHazardous: No
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Description
3,4-Difluorobenzamide (Standard) is the analytical standard of 3,4-Difluorobenzamide. This product is intended for research and analytical applications.
CAS Number
85118-04-3
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Reference Standards
Related Pathways
Others
Smiles
FC1=C(F)C=CC(C(N)=O)=C1
Molecular Formula
C7H5F2NO
Molecular Weight
157.12
Precautions
H315, H319
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3,4-Difluorobenzamide
CAS Number85118-04-3
PubChem CID522832
IUPAC Name3,4-difluorobenzamide
Molecular FormulaC7H5F2NO
Molecular Weight157.12
XLogP1.2
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1=CC(=C(C=C1C(=O)N)F)F
InChI
InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKey
CMWOHNIHUBDEAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluorobenzamide
CAS: 85118-04-3
CID: 522832
Formula: C7H5F2NO
MW: 157.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.12
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass157.03392011
Monoisotopic Mass157.03392011
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
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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