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(Z) -Fluoxastrobin Impurity 1

CAT: 1596-AR-F10418-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10418-01Size:10 Units
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CAS Number
169153-13-3
Molecular Formula
C11H12N2O4
Molecular Weight
236.23
API Name
Fluoxastrobin

Chemical Information

(E)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone O-methyloxime
CAS Number169153-13-3
PubChem CID135512723
IUPAC Name2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenol
Molecular FormulaC11H12N2O4
Molecular Weight236.22
XLogP2
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity317
SMILES
CO/N=C(/C1=CC=CC=C1O)\C2=NOCCO2
InChI
InChI=1S/C11H12N2O4/c1-15-12-10(11-13-17-7-6-16-11)8-4-2-3-5-9(8)14/h2-5,14H,6-7H2,1H3/b12-10-
InChIKey
NGTOQTNVQSGXIS-BENRWUELSA-N
Chemical Structure
2D Structure
2D structure of (E)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone O-methyloxime
CAS: 169153-13-3
CID: 135512723
Formula: C11H12N2O4
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass236.07970687
Monoisotopic Mass236.07970687
Topological Polar Surface Area72.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity317
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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