1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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CAS No:
142818-03-9
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Formula:
C11H6F3N3O4
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Chemical Name:
1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,1-(4-nitrophenyl)-5-(trifluoromethyl)-;1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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CAS No:
1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Basic Attributes
301.17800
301.18
DTXSID20350953
2933199090
Safety Information
3
R22; R36/37/38
S26; S36
Xn; Xi
|Warning|H302 (90.7%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:301.18
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:301.03104017
Monoisotopic Mass:301.03104017
Topological Polar Surface Area:101
Heavy Atom Count:21
Complexity:418
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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