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Indoxacarb

CAT: 1596-AR-I01539-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01539-02Size:100 Units
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CAS Number
173584-44-6
Synonyms
(S) -Indoxacarb; (S) -7-Chloro-2,5-dihydro-2-[[ (methoxycarbonyl) [4- (trifluoromethoxy) phenyl]amino]carbonyl]-Indeno[1,2-e][1,3,4]oxadiazine-4a (3H) -carboxylic Acid Methyl Ester; (S) -Indoxacarb; Activyl; Advion; Advion fire ant bait; Avatar; Avaunt; Avaunt 30WDG; Avaunt 30WG; DPX-KN 128; DPX-MP 062-381; DPX-MP 062-382; DPX-MP 062-385; DPX-MP 062-390; DPX-MP 062-39; DPX-MP 062-400; Explicit; Indoxacarb; Indoxacarb MP; KN 128; Parkway Mole Cricket Bait; Provaunt; S- (+) -Indoxacarb; Steward; Steward 30WG; Steward EC; Steward Gold; Indoxacarb
Molecular Formula
C22H17ClF3N3O7
Molecular Weight
527.84
API Name
Indoxacarb

Chemical Information

Indoxacarb

Indoxacarb is a methyl ester and an organochlorine insecticide. It has a role as a voltage-gated sodium channel blocker.

CAS Number173584-44-6
PubChem CID107720
IUPAC Namemethyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
Molecular FormulaC22H17ClF3N3O7
Molecular Weight527.8
XLogP4.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity912
SMILES
COC(=O)[C@]12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl
InChI
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKey
VBCVPMMZEGZULK-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Indoxacarb
CAS: 173584-44-6
CID: 107720
Formula: C22H17ClF3N3O7
MW: 527.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight527.8
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass527.0707121
Monoisotopic Mass527.0707121
Topological Polar Surface Area107 Ų
Heavy Atom Count36
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes