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bifenthrin

bifenthrin

CAS: 82657-04-3

Formula: C23H22ClF3O2

SMILES: CC1=C(COC(=O)C2C(C=C(/Cl)C(F)(F)F)C2(C)C)C=CC=C1C1=CC=CC=C1

IUPAC: {2-methyl-[1,1'-biphenyl]-3-yl}methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate

InChI: InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-

Composition: C (65.33%), H (5.24%), Cl (8.38%), F (13.48%), O (7.57%)

Molar Mass: 422.87

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names bifenthrin; bifenthrine; biphenate; biphentrin; brigade; capture; caswell no. 463F; epa pesticide chemical code 128825; talstar
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 422.1260421
Formal Charge 0
FSP3 0.35
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OMFRMAHOUUJSGP-UNOMPAQXNA-N
Lipinski's Rule of Five
Molar Refractivity 109.14
Topological Polar Surface Area 26.3
Polarizability 42.19
Ring Count 3
Rotatable Bond Count 7

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