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  • Flubendiamide
Name:Flubendiamide
CAS No:272451-65-7

PRODUCT DESCRIPTION

【Name】
1,2-Benzenedicarboxamide,N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-
【CAS Registry number】
272451-65-7
【Synonyms】
Belt
Flubendiamide
NNI 0001
RIL 038
Synapse
Synapse (insecticide)
Takumi
【Molecular Formula】
C23H22 F7 I N2 O4 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
【Canonical SMILES】
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
【MOL File】
272451-65-7.mol

Chemical and Physical Properties

【Density】
1.615g/cm3
【Boiling Point】
578.6°C at 760 mmHg
【Vapour】
2.2E-13mmHg at 25°C
【Refractive Index】
1.539
【Flash Point】
303.7°C
【Computed Properties】
Molecular Weight:682.390072 [g/mol]
Molecular Formula:C23H22F7IN2O4S
XLogP3-AA:5.3
H-Bond Donor:2
H-Bond Acceptor:11
Rotatable Bond Count:7
Tautomer Count:4
Exact Mass:682.023318
MonoIsotopic Mass:682.023318
Topological Polar Surface Area:101
Heavy Atom Count:38
Formal Charge:0
Complexity:968
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:11
Conformer Sampling RMSD:1.2
CID Conformer Count:83

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