TRANS-1,1,1-TRIFLUORO-4-(3-INDOLYL)-3-BUTEN-2-ONE
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TRANS-1,1,1-TRIFLUORO-4-(3-INDOLYL)-3-BUTEN-2-ONE
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CAS No:
153532-01-5
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Formula:
C12H8F3NO
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Chemical Name:
TRANS-1,1,1-TRIFLUORO-4-(3-INDOLYL)-3-BUTEN-2-ONE
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Synonyms:
(E)-1,1,1-TRIFLUORO-4-(1H-INDOL-3-YL)-3-BUTEN-2-ONE; (3E)-1,1,1-TRIFLUORO-4-(1H-INDOL-3-YL)BUT-3-EN-2-ONE; 1,1,1-trifluoro-(E)-4-(3-indolyl)but-3-en-2-one; (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)-but-3-en-2-one; 1,1,1-TRIFLUORO-4-(1H-INDOL-3-YL)BUT-3-EN-2-ONE;
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CAS No:
Safety Information
R36/37/38
S26; S36
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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:239.19
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:239.05579836
Monoisotopic Mass:239.05579836
Topological Polar Surface Area:32.9
Heavy Atom Count:17
Complexity:324
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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