Benzonitrile, 4-(bromomethyl)-2-chloro-


Chemical Name: Benzonitrile, 4-(bromomethyl)-2-chloro-
CAS Number: 83311-25-5
Product Number: AG00GMZ2(AGN-PC-03RVO9)
Synonyms:
MDL No:
Molecular Formula: C8H5BrClN
Molecular Weight: 230.489

Identification/Properties


Computed Properties
Molecular Weight:
230.489g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
228.929g/mol
Monoisotopic Mass:
228.929g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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


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