[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
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[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
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CAS No:
372506-12-2
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Formula:
C23H15NO5S
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Chemical Name:
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
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Synonyms:
ZINC2201266;STK548186;AKOS003684612;(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 2-nitrobenzoate;4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate;372506-12-2
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CAS No:
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate Basic Attributes
417.4 g/mol
417.06709375 g/mol
Computed Properties
Molecular Weight:417.4
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:417.06709375
Monoisotopic Mass:417.06709375
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:717
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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