Benzonitrile, 4-(bromomethyl)-3-methoxy-


Chemical Name: Benzonitrile, 4-(bromomethyl)-3-methoxy-
CAS Number: 104436-60-4
Product Number: AG007HTF(AGN-PC-002FUS)
Synonyms:
MDL No:
Molecular Formula: C9H8BrNO
Molecular Weight: 226.0699

Identification/Properties


Computed Properties
Molecular Weight:
226.073g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
224.979g/mol
Monoisotopic Mass:
224.979g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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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