[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ea44d1510d2a47a09a00c397edd6b431.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate
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CAS No:
457094-93-8
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Formula:
C19H14ClN3O3S
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate
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Synonyms:
ZINC2658622;Z18493763;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-chloro-5-(methylsulfanyl)benzoate;457094-93-8
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-chloro-5-methylsulfanylbenzoate Basic Attributes
399.9 g/mol
399.0444402 g/mol
Computed Properties
Molecular Weight:399.9
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.0444402
Monoisotopic Mass:399.0444402
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:635
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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