5-(1,2-BENZISOXAZOL-3-YLMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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5-(1,2-BENZISOXAZOL-3-YLMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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CAS No:
860785-62-2
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Formula:
C16H11ClN4OS
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Chemical Name:
5-(1,2-BENZISOXAZOL-3-YLMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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Synonyms:
5-(1,2-benzisoxazol-3-ylmethyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;860785-62-2;5-[(1,2-benzoxazol-3-yl)methyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;MLS000696530;CHEMBL1411721;HMS2721C18;KS-00001T6N;ZINC5757294;AKOS005081731;MCULE-8494935133
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CAS No:
5-(1,2-BENZISOXAZOL-3-YLMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes
342.8
342.034
Computed Properties
Molecular Weight:342.8
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:342.0342099
Monoisotopic Mass:342.0342099
Topological Polar Surface Area:85.8
Heavy Atom Count:23
Complexity:495
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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