Benzoic acid, 2-amino-5-thiocyanato-, methyl ester (9CI)
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Benzoic acid, 2-amino-5-thiocyanato-, methyl ester (9CI)
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CAS No:
117324-16-0
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Formula:
C9H8N2O2S
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Chemical Name:
Benzoic acid, 2-amino-5-thiocyanato-, methyl ester (9CI)
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Synonyms:
methyl 2-amino-5-thiocyanatobenzoate;117324-16-0;Methyl 2-amino-5-(thiocyanato)benzoate;SCHEMBL9541352;Benzoic acid, 2-amino-5-thiocyanato-, methyl ester (9CI);HMS1588C16;ZINC305288;methyl 2-amino-5-cyanothiobenzoate;STK045526;AKOS002223111
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CAS No:
Computed Properties
Molecular Weight:208.24
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:208.03064868
Monoisotopic Mass:208.03064868
Topological Polar Surface Area:101
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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