3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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![3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1daa86a79b584e10aa6d6ff04c84b513.png "3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one")
3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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CAS No:
28614-07-5
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Formula:
C30H21BrO4
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Chemical Name:
3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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Synonyms:
2H-1-Benzopyran-2-one,3-[3-(4′-bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-;Coumarin,3-[α-[p-(p-bromophenyl)phenacyl]benzyl]-4-hydroxy-;3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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CAS No:
3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one Basic Attributes
525.38934
525.39
249-106-0
Safety Information
P201, P202, P260, P262, P264, P270, P271, P273, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501
H300+H310+H330
|Danger|H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P260, P262, P264, P270, P271, P273, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Bromadiolone-Ketone, M2 is a known environmental transformation product of Bromadiolone.
Computed Properties
Molecular Weight:525.4
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:524.06232
Monoisotopic Mass:524.06232
Topological Polar Surface Area:63.6
Heavy Atom Count:35
Complexity:784
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
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