4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
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![4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9b9f105ff06f4956a0bbf432768fcb37.png "4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid")
4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
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CAS No:
220462-27-1
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Formula:
C11H7F3N2O2
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Chemical Name:
4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
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Synonyms:
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid;
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CAS No:
4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Basic Attributes
256.18100
256.04596196
DTXSID70381691
Safety Information
R36/37/38
S26-S37/39
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:256.18
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:256.04596196
Monoisotopic Mass:256.04596196
Topological Polar Surface Area:55.1
Heavy Atom Count:18
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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