Benzonitrile, 4-bromo-2,6-dimethyl-


Chemical Name: Benzonitrile, 4-bromo-2,6-dimethyl-
CAS Number: 5757-66-4
Product Number: AG00EE25(AGN-PC-0NCOC1)
Synonyms:
MDL No:
Molecular Formula: C9H8BrN
Molecular Weight: 210.0705

Identification/Properties


Computed Properties
Molecular Weight:
210.074g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
208.984g/mol
Monoisotopic Mass:
208.984g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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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