Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester
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Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester
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CAS No:
59168-56-8
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Formula:
C10H10N2O3S
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Chemical Name:
Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester
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Synonyms:
Benzoic acid,4-amino-2-methoxy-5-thiocyanato-,methyl ester;Methyl 4-amino-2-methoxy-5-thiocyanatobenzoate;4-Amino-5-(cyanosulfanyl)-2-methoxybenzoic acid methyl ester
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CAS No:
Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester Basic Attributes
238.26300
238.26
261-639-0
7MFH7BCA4X
DTXSID40207894
Characteristics
110.64000
2.21838
Almost white power
1.35 g/cm3
160-165ºC
422ºC at 760 mmHg
209ºC
1.603
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:238.27
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:238.04121336
Monoisotopic Mass:238.04121336
Topological Polar Surface Area:111
Heavy Atom Count:16
Complexity:302
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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