trans-4-Nitrostilbene
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trans-4-Nitrostilbene
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CAS No:
1694-20-8
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Formula:
C14H11NO2
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Chemical Name:
trans-4-Nitrostilbene
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Synonyms:
Benzene,1-nitro-4-[(1E)-2-phenylethenyl]-;Stilbene,4-nitro-,(E)-;Benzene,1-nitro-4-(2-phenylethenyl)-,(E)-;1-Nitro-4-[(1E)-2-phenylethenyl]benzene;trans-p-Nitrostilbene;trans-4-Nitrostilbene;4-Nitro-trans-stilbene;(E)-4-Nitrostilbene;(E)-1-(4-Nitrophenyl)-2-phenylethene;NSC 66821;(E)-1-Nitro-4-styrylbenzene;(E)-1-Nitro-4-styrilbenzene;(E)-1-Nitro-4-styrylbenzene
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CAS No:
Description
(E)-4-nitrostilbene is a stilbenoid with a structure of (E)-stilbene substituted at one of the C-4 positions by a nitro group. It has a role as a mutagen.
trans-4-Nitrostilbene Basic Attributes
225.24300
225.24
223-653-5
3W1GSV923H
141579|66821|53390
2904209090
Characteristics
45.82000
4.28840
1.22g/cm3
157 °C
342.8ºC at 760mmHg
153.5ºC
1.685
0.000145mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
trans-4-Nitrostilbene Use and Manufacturing
Polyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
Computed Properties
Molecular Weight:225.24
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.078978594
Monoisotopic Mass:225.078978594
Topological Polar Surface Area:45.8
Heavy Atom Count:17
Complexity:268
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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