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2- (2,6-Difluorophenyl) -N-hydroxyacetamidine

CAT: 0127-PC109516-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-PC109516-01Size:10 mg
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CAS Number
280110-81-8
MDL Number
MFCD08705935
Purity
95%
Smiles
ONC(=N)Cc1c(F)cccc1F

Chemical Information

2-(2,6-Difluoro-phenyl)-N-hydroxy-acetamidine
CAS Number280110-81-8
PubChem CID42614278
IUPAC Name2-(2,6-difluorophenyl)-N'-hydroxyethanimidamide
Molecular FormulaC8H8F2N2O
Molecular Weight186.16
XLogP1.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
C1=CC(=C(C(=C1)F)C/C(=N/O)/N)F
InChI
InChI=1S/C8H8F2N2O/c9-6-2-1-3-7(10)5(6)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKey
BQXGBLWXGGQQBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Difluoro-phenyl)-N-hydroxy-acetamidine
CAS: 280110-81-8
CID: 42614278
Formula: C8H8F2N2O
MW: 186.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.16
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass186.06046921
Monoisotopic Mass186.06046921
Topological Polar Surface Area58.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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WXB09339-012-Bromo-N- (2,6-difluorophenyl) acetamide
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