Cis-Permethrin EP Impurity G

CAT: 1299-RM-P681810-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P681810-04Size:100 mg

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CAS Number

85576-82-5

Synonyms

Cyclopropanecarboxylic acid, 3- (chloroethynyl) -2,2-dimethyl-, (3-phenoxyphenyl) methyl ester, cis- (9CI)

Molecular Formula

C21H19ClO3

Molecular Weight

354.83

Target Alternative Name

Permethrin

Product Name Synonym

Cyclopropanecarboxylic acid,3- (chloroethynyl) -2,2-dimethyl-, (3-phenoxyphenyl) methyl ester, cis- (9CI)

Chemical Information

Chloroacetylenic Permethrin

CAS Number	85576-82-5
PubChem CID	168006746
IUPAC Name	trans-(3-phenoxyphenyl)methyl (1S,3R)-3-(2-chloroethynyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula	C21H19ClO3
Molecular Weight	354.8
XLogP	5.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	538

SMILES

CC1([C@@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C#CCl)C

InChI

InChI=1S/C21H19ClO3/c1-21(2)18(11-12-22)19(21)20(23)24-14-15-7-6-10-17(13-15)25-16-8-4-3-5-9-16/h3-10,13,18-19H,14H2,1-2H3/t18-,19-/m1/s1

InChIKey

FJEFBSUEZRQPIM-RTBURBONSA-N

Chemical Structure

2D Structure

CAS: 85576-82-5

CID: 168006746

Formula: C21H19ClO3

MW: 354.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.8
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	354.1022722
Monoisotopic Mass	354.1022722
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	538
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P681807-01	Permethrin EP Impurity G
RM-P681801-01	Permethrin EP Impurity A
RM-P681806-01	Permethrin EP Impurity F
RM-P681802-01	Permethrin EP Impurity B
RM-P681803-01	Permethrin EP Impurity C
RM-P681804-01	Permethrin EP Impurity D
RM-P681805-01	Permethrin EP Impurity E
RM-P681808-01	Permethrin EP Impurity H
RM-E192020-01	Escitalopram EP Impurity G; Citalopram EP Impurity G
RM-T162007-01	Tryptophan EP Impurity G; N-Acetyltryptophan EP Impurity G

Catalog	Name
AR-P01515-01	Cis-Permethrin EP Impurity G
AR-P29773-01	Cis-Permethrin EP Impurity G (Racemic)
AR-P30999-01	Permethrin Impurity 8
AR-P29772-01	Permethrin Hydroxy Impurity
CS-T-94067	Permethrin Impurity F
AR-P31001-01	Permethrin Impurity 3
AR-P31002-01	Permethrin Impurity 4
AR-P30998-01	Permethrin Impurity 7
AR-P31003-01	Permethrin Impurity 6
AR-P30996-01	Permethrin Impurity 2