2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
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![2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b7fdf404d4934992bc56410cc8d6e556.png "2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid")
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
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CAS No:
618070-43-2
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Formula:
C12H11FN2O2
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Chemical Name:
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
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Synonyms:
1-(4-Fluorobenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid;
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CAS No:
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid Basic Attributes
234.22600
234.08045576
DTXSID40409275
2933199090
Safety Information
S22; S24/25
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:234.23
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.08045576
Monoisotopic Mass:234.08045576
Topological Polar Surface Area:55.1
Heavy Atom Count:17
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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