Molecular Structure of Pyribenzoxim (CAS NO.168088-61-7):
IUPAC Name: (Benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
Molecular Weight: 609.58548 [g/mol]
Molecular Formula: C32H27N5O8
XLogP3-AA: 6.8
H-Bond Donor: 0
H-Bond Acceptor: 13
Index of Refraction: 1.612
Molar Refractivity: 162.38 cm3
Molar Volume: 466.7 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.3 g/cm3
Flash Point: 444.1 °C
Enthalpy of Vaporization: 117.86 kJ/mol
Boiling Point: 810.8 °C at 760 mmHg
Vapour Pressure: 2.4E-26 mmHg at 25 °C
Melting Point: 129 °C
Classification Code: Herbicide; Pesticide
SMILES: O=C(O\N=C(/c1ccccc1)c2ccccc2)c5c(Oc3nc(OC)cc(OC)n3)cccc5Oc4nc(OC)cc(OC)n4
InChI: InChI=1/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
InChIKey: OVXMBIVWNJDDSM-UHFFFAOYAV
Pyribenzoxim (CAS NO.168088-61-7), its Synonyms are Benzophenone O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime ; Pyanchor ; O-(2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime benzophenone .
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