5-Bromo-2-cyanobenzoic acid
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5-Bromo-2-cyanobenzoic acid
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CAS No:
1032231-28-9
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Formula:
C8H4BrNO2
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Chemical Name:
5-Bromo-2-cyanobenzoic acid
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Synonyms:
Benzoic acid,5-bromo-2-cyano-;5-Bromo-2-cyanobenzoic acid;4-Bromo-2-carboxybenzonitrile
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CAS No:
Characteristics
61.1
1.91
1.8±0.1 g/cm3
169-171 °C (decomp)
379.1±32.0 °C at 760 mmHg
183.1±25.1 °C
1.651
Computed Properties
Molecular Weight:226.03
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:224.94254
Monoisotopic Mass:224.94254
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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