3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one
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![3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6472e2a897fe4dea9a943fd36c22b276.png "3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one")
3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one
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CAS No:
35838-63-2
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Formula:
C21H21ClO3
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Chemical Name:
3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one
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Synonyms:
2H-1-Benzopyran-2-one,3-[1-[4-(2-chloroethyl)phenyl]butyl]-4-hydroxy-;3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one;3-[1-(p-Chlorethylphenyl)butyl]-4-hydroxycoumarin;3[1-[p-(2-Chloroethyl)phenyl]butyl]-4-hydroxycoumarin;DB 112;Clocoumarol
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CAS No:
3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one Basic Attributes
356.847
356.84
252-748-4
2932209090
Drug Information
Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)
3-(1-(p-chloroethylphenyl)butyl)-4-hydroxycoumarin
Computed Properties
Molecular Weight:356.8
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:356.1179222
Monoisotopic Mass:356.1179222
Topological Polar Surface Area:46.5
Heavy Atom Count:25
Complexity:493
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-[1-[4-(2-Chloroethyl)phenyl]butyl]-4-hydroxy-2H-1-benzopyran-2-one
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