5,6-Difluoroindole-2-Carboxylic Acid
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5,6-Difluoroindole-2-Carboxylic Acid
structure -
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CAS No:
169674-35-5
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Formula:
C9H5F2NO2
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Chemical Name:
5,6-Difluoroindole-2-Carboxylic Acid
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Synonyms:
5,6-difluoro-1H-indole-2-carboxylic acid; 5,6-DIFLUOROINDOLE-2-CARBOXYLIC ACID;
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CAS No:
5,6-Difluoroindole-2-Carboxylic Acid Basic Attributes
197.13800
197.02883473
DTXSID90597136
2933990090
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:197.14
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:197.02883473
Monoisotopic Mass:197.02883473
Topological Polar Surface Area:53.1
Heavy Atom Count:14
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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