4-(1,2,4-triazol-4-yl)benzoic acid
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4-(1,2,4-triazol-4-yl)benzoic acid
structure -
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CAS No:
157069-48-2
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Formula:
C9H7N3O2
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Chemical Name:
4-(1,2,4-triazol-4-yl)benzoic acid
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Synonyms:
F2167-0140;
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CAS No:
4-(1,2,4-triazol-4-yl)benzoic acid Basic Attributes
189.17100
189.053826475
DTXSID80390355
2933990090
Safety Information
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|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:189.17
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.053826475
Monoisotopic Mass:189.053826475
Topological Polar Surface Area:68
Heavy Atom Count:14
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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