Home Nitriles 3-Bromo-4,5-diethoxybenzonitrile

3-Bromo-4,5-diethoxybenzonitrile

CAS No.:
514856-13-4
Catalog Number:
AG003J17
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
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Product Description
Catalog Number:
AG003J17
Chemical Name:
3-Bromo-4,5-diethoxybenzonitrile
CAS Number:
514856-13-4
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD02256587
IUPAC Name:
3-bromo-4,5-diethoxybenzonitrile
InChI:
InChI=1S/C11H12BrNO2/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
DPLJNTWBXCKJOL-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)cc(c1OCC)Br
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties