3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
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![3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b5e5755c80db4aafb35037924b04ffcd.png "3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid")
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
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CAS No:
618383-45-2
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Formula:
C11H7F3N2O2
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Chemical Name:
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,3-[4-(trifluoromethyl)phenyl]-;3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
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CAS No:
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid Basic Attributes
256.18100
256.18
2933199090
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:256.18
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:256.04596196
Monoisotopic Mass:256.04596196
Topological Polar Surface Area:66
Heavy Atom Count:18
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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