3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
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3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
structure -
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CAS No:
1736-21-6
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Formula:
C11H8FNO3
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Chemical Name:
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
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Synonyms:
4-Isoxazolecarboxylic acid,3-(4-fluorophenyl)-5-methyl-;4-Isoxazolecarboxylic acid,3-(p-fluorophenyl)-5-methyl-;3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid;3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
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CAS No:
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid Basic Attributes
221.18500
221.18
DTXSID50381699
2934999090
Characteristics
63.33000
2.48730
1.35g/cm3
198-202ºC
361.6ºC at 760mmHg
172.5ºC
1.56
7.36E-06mmHg at 25°C
Safety Information
R36/37/38
S26; S36/37/39
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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:221.18
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:221.04882128
Monoisotopic Mass:221.04882128
Topological Polar Surface Area:63.3
Heavy Atom Count:16
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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