Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
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![Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e288a34e24ea4740bee5223341005b6f.png "Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)")
Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
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CAS No:
53213-80-2
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Formula:
C25H29N2O2.I
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Chemical Name:
Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
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Synonyms:
Benzoxazolium,3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-,iodide (1:1);Benzoxazolium,3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propenyl]-,iodide
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CAS No:
Benzoxazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1) Basic Attributes
516.41443
516.12738
Safety Information
3
36/37/38
26-36
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:516.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:516.12738
Monoisotopic Mass:516.12738
Topological Polar Surface Area:29.5
Heavy Atom Count:30
Complexity:527
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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