1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL&
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1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL&
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CAS No:
213690-00-7
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Formula:
C13H16BrNO2
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Chemical Name:
1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL&
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Synonyms:
1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one;(E)-1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one;2-Propen-1-one,1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)-;SCHEMBL1528645;SCHEMBL1528647;ZINC2574026;AKOS015894746;1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL&;J-014010;1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one, 97%
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CAS No:
1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL& Basic Attributes
298.178
297.03600
DTXSID50408032
2922509090
Characteristics
40.54000
3.19290
1.361g/cm3
73-77 °C(lit.)
389.4ºC at 760 mmHg
189.3ºC
1.579
1.27E-06mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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:298.18
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:297.03644
Monoisotopic Mass:297.03644
Topological Polar Surface Area:40.5
Heavy Atom Count:17
Complexity:277
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(5-BROMO-2-HYDROXYPHENYL)-3-(DIETHYL&
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