Home Nitriles 5-Bromo-2,3-dimethoxybenzonitrile

5-Bromo-2,3-dimethoxybenzonitrile

CAS No.:
164670-73-9
Catalog Number:
AG001V0W
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$63
- +
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG001V0W
Chemical Name:
5-Bromo-2,3-dimethoxybenzonitrile
CAS Number:
164670-73-9
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD04973391
IUPAC Name:
5-bromo-2,3-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-4H,1-2H3
InChI Key:
NSLPEHVFBDYXDV-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C#N)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