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O-[ (2,4-difluorophenyl) methyl]hydroxylamine

CAT: 0127-PC111546-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC111546-01Size:100 mg
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CAS Number
851180-94-4
Purity
97%
Smiles
NOCC1=CC=C(F)C=C1F

Chemical Information

O-[(2,4-difluorophenyl)methyl]hydroxylamine
CAS Number851180-94-4
PubChem CID66761411
IUPAC NameO-[(2,4-difluorophenyl)methyl]hydroxylamine
Molecular FormulaC7H7F2NO
Molecular Weight159.13
XLogP1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity123
SMILES
C1=CC(=C(C=C1F)F)CON
InChI
InChI=1S/C7H7F2NO/c8-6-2-1-5(4-11-10)7(9)3-6/h1-3H,4,10H2
InChIKey
CPRQUDDWUCFBDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-[(2,4-difluorophenyl)methyl]hydroxylamine
CAS: 851180-94-4
CID: 66761411
Formula: C7H7F2NO
MW: 159.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight159.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass159.04957017
Monoisotopic Mass159.04957017
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
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