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4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile

4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile structure

CAS No:
62584-75-2
Formula:
C16H12BrNO
Chemical Name:
4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile
Synonyms:
62584-75-2;4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile;Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]-;DTXSID80368690;ZINC3327264;AKOS001047320;MCULE-6743580592;Z56952996

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4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile Basic Attributes

Molecular Weight：

314.18 g/mol

Exact Mass：

313.01023 g/mol

DSSTox ID：

DTXSID80368690

Characteristics

PSA：

40.9 Å²

Computed Properties

Molecular Weight:314.18
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:313.01023
Monoisotopic Mass:313.01023
Topological Polar Surface Area:40.9
Heavy Atom Count:19
Complexity:343
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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