Benzoic acid, 3-isothiocyanato-, methyl ester
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Benzoic acid, 3-isothiocyanato-, methyl ester
structure -
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CAS No:
3125-66-4
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Formula:
C9H7NO2S
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Chemical Name:
Benzoic acid, 3-isothiocyanato-, methyl ester
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Synonyms:
Benzoic acid,3-isothiocyanato-,methyl ester;Benzoic acid,m-isothiocyanato-,methyl ester;Methyl 3-isothiocyanatobenzoate;3-Methoxycarbonylphenylisothiocyanate;3-Isothiocyanatobenzoic acid methyl ester
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CAS No:
Safety Information
II
6.1
2810
R20/21/22;R36/37/38
S26-S36/37/39
T: Toxic;
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:193.22
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:70.8
Heavy Atom Count:13
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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