[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
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[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
structure -
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CAS No:
312939-18-7
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Formula:
C21H12ClNO3S
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Chemical Name:
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
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Synonyms:
2-[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 2-chloronicotinate;HMS599E12;312939-18-7;ZINC27527883;[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
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CAS No:
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate Basic Attributes
393.8 g/mol
393.0226421 g/mol
Computed Properties
Molecular Weight:393.8
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:393.0226421
Monoisotopic Mass:393.0226421
Topological Polar Surface Area:81.6
Heavy Atom Count:27
Complexity:610
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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