5-Bromo-1H-indole-3-butanoic acid
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5-Bromo-1H-indole-3-butanoic acid
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CAS No:
13993-31-2
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Formula:
C12H12BrNO2
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Chemical Name:
5-Bromo-1H-indole-3-butanoic acid
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Synonyms:
1H-Indole-3-butanoic acid,5-bromo-;Indole-3-butyric acid,5-bromo-;5-Bromo-1H-indole-3-butanoic acid
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CAS No:
5-Bromo-1H-indole-3-butanoic acid Basic Attributes
282.13
282.13
237-794-5
4TY6X896J4
DTXSID60161202
2933990090
Characteristics
53.1
3.20
1.6±0.1 g/cm3
143 °C
475.0±30.0 °C at 760 mmHg
241.1±24.6 °C
1.669
7.91E-10mmHg at 25°C
Computed Properties
Molecular Weight:282.13
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:281.00514
Monoisotopic Mass:281.00514
Topological Polar Surface Area:53.1
Heavy Atom Count:16
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-1H-indole-3-butanoic acid
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