Deltamethrin Impurity 4

CAT: 1596-AR-D06750-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06750-01Size:10 Units

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CAS Number

71417-19-1

Molecular Formula

C10H12ClF3O2

Molecular Weight

256.65

API Name

Deltamethrin

Chemical Information

Methyl 3-((Z)-2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropancarboxylate

CAS Number	71417-19-1
PubChem CID	53412313
IUPAC Name	methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula	C10H12ClF3O2
Molecular Weight	256.65
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	333

SMILES

CC1(C(C1C(=O)OC)C=C(C(F)(F)F)Cl)C

InChI

InChI=1S/C10H12ClF3O2/c1-9(2)5(7(9)8(15)16-3)4-6(11)10(12,13)14/h4-5,7H,1-3H3

InChIKey

ZRLLIXSRKOMDAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71417-19-1

CID: 53412313

Formula: C10H12ClF3O2

MW: 256.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.65
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	256.0477918
Monoisotopic Mass	256.0477918
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-D06751-01	Deltamethrin Impurity 3
AR-D06753-01	Deltamethrin Impurity 1 (Mixture of Diastereomers)
AR-D01388-01	Deltamethrin
AR-D01389-01	Deltamethrin-d5
AR-D01394-01	Deltamethrin R-Isomer
AR-D01391-01	Deltamethrin Related Compound 4 ((S) -3-Phenoxybenzaldehyde Cyanohydrin)
AR-D06752-01	Deltamethrin-d5 (Mixture of Diastereomers)
AR-D01393-01	Deltamethrin Related Compound 1 (Bacisthemic Acid)
AR-D01390-01	Deltamethrin Related Compound 3 (Bacisthemic Anhydride)
AR-N01600-01	Nintedanib Impurity 4 (Intedanib Impurity 4)