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Trifloxystrobin Impurity 1

CAT: 1596-AR-T05946-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T05946-03Size:50 Units
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CAS Number
1782982-62-0
Molecular Formula
C30H28F3N3O7
Molecular Weight
599.56
API Name
Trifloxystrobin

Chemical Information

Trifloxystrobin-benzyl 2-(Methoxyimino) Acetate
CAS Number1782982-62-0
PubChem CID172922620
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[[(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetyl]oxymethyl]phenyl]acetate
Molecular FormulaC30H28F3N3O7
Molecular Weight599.6
XLogP6.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity1020
SMILES
C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC)/C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C30H28F3N3O7/c1-19(20-12-9-13-23(16-20)30(31,32)33)34-43-18-22-11-6-8-15-25(22)27(36-41-4)29(38)42-17-21-10-5-7-14-24(21)26(35-40-3)28(37)39-2/h5-16H,17-18H2,1-4H3/b34-19+,35-26+,36-27+
InChIKey
HNEGTFZEUZYWKK-RFDFDBPUSA-N
Chemical Structure
2D Structure
2D structure of Trifloxystrobin-benzyl 2-(Methoxyimino) Acetate
CAS: 1782982-62-0
CID: 172922620
Formula: C30H28F3N3O7
MW: 599.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.6
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass599.18793473
Monoisotopic Mass599.18793473
Topological Polar Surface Area117 Ų
Heavy Atom Count43
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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