3-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID
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3-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID
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CAS No:
28077-41-0
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Formula:
C11H9NO2S
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Chemical Name:
3-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID
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Synonyms:
3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid; 3-(2-methyl thiazol-4-yl) benzoic acid; 3-(2-Methyl-thiazol-4-yl)benzoesaeure;
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CAS No:
3-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID Basic Attributes
219.26000
219.03539970
DTXSID50380127
2934100090
Characteristics
78.43000
2.81670
1.319g/cm3
200ºC
431ºC at 760mmHg
214.4ºC
1.629
3.42E-08mmHg at 25°C
Safety Information
R36/37/38
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:219.26
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:219.03539970
Monoisotopic Mass:219.03539970
Topological Polar Surface Area:78.4
Heavy Atom Count:15
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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