Home Nitriles 3-Bromo-4,5-dimethoxybenzonitrile

3-Bromo-4,5-dimethoxybenzonitrile

CAS No.:
781654-31-7
Catalog Number:
AG003J1A
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$191
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Product Description
Catalog Number:
AG003J1A
Chemical Name:
3-Bromo-4,5-dimethoxybenzonitrile
CAS Number:
781654-31-7
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD02256494
IUPAC Name:
3-bromo-4,5-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,1-2H3
InChI Key:
PTCVIEQABWPBTA-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1OC)Br
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties