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  • Metrafenone
Name:Metrafenone
CAS No:220899-03-6

PRODUCT DESCRIPTION

【Name】
Metrafenone
【CAS Registry number】
220899-03-6
【Synonyms】
Metrafenone
Metrafenone [ISO]
AC1O52PD
BAS 560 02F
3?-bromo-2,3,4,6?-tetramethoxy-2?,6-dimethylbenzophenone
(3-bromo-6-methoxy-2-methylphenyl)(2,3,4-trimethoxy-6-methylphenyl)methanone
(3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
220899-03-6
【Molecular Formula】
C19H21BrO5 (Products with the same molecular formula)
【Molecular Weight】
409.27104
【Inchi】
InChI=1/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3

Chemical and Physical Properties

【Boiling Point】
534.4°C at 760 mmHg
【Vapour】
1.7E-11mmHg at 25°C
【Refractive Index】
1.554
【Flash Point】
277°C
【Computed Properties】
Molecular Weight:409.27104 [g/mol]
Molecular Formula:C19H21BrO5
XLogP3-AA:4.6
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:6
Exact Mass:408.057236
MonoIsotopic Mass:408.057236
Topological Polar Surface Area:54
Heavy Atom Count:25
Formal Charge:0
Complexity:446
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:5
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:19

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