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chlorantraniliprole

chlorantraniliprole

CAS: 500008-45-7

Formula: C18H14BrCl2N5O2

SMILES: CNC(=O)C1=CC(Cl)=CC(C)=C1NC(=O)C1=CC(Br)=NN1C1=NC=CC=C1Cl

IUPAC: 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide

InChI: InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)

Composition: C (44.75%), H (2.92%), Br (16.54%), Cl (14.67%), N (14.50%), O (6.62%)

Molar Mass: 483.15

Atom Count: 42

Heavy Atom Count: 28

Properties
Properties
Common Names chlorantraniliprole
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 480.970793
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PSOVNZZNOMJUBI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.08
Topological Polar Surface Area 88.91
Polarizability 41.73
Ring Count 3
Rotatable Bond Count 4

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