4-(thiadiazol-4-yl)benzoic acid
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4-(thiadiazol-4-yl)benzoic acid
structure -
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CAS No:
187999-31-1
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Formula:
C9H6N2O2S
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Chemical Name:
4-(thiadiazol-4-yl)benzoic acid
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CAS No:
Characteristics
91.32000
1.90330
1.44g/cm3
230ºC
415.4ºC at 760mmHg
205ºC
1.651
1.21E-07mmHg at 25°C
Safety Information
R36/37/38
S26-S37/39
Xi
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:206.22
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:206.01499861
Monoisotopic Mass:206.01499861
Topological Polar Surface Area:91.3
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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