2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile


Chemical Name: 2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile
CAS Number: 1027160-12-8
Product Number: AG00087A(AGN-PC-0148OW)
Synonyms:
MDL No:
Molecular Formula: C15H16Br2N2
Molecular Weight: 384.1089

Identification/Properties


Computed Properties
Molecular Weight:
384.115g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
383.966g/mol
Monoisotopic Mass:
381.968g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
386
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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