Home Nitriles 2-Bromo-6-isobutoxybenzonitrile

2-Bromo-6-isobutoxybenzonitrile

CAS No.:
1365272-63-4
Catalog Number:
AG009WXD
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$450
- +
10g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009WXD
Chemical Name:
2-Bromo-6-isobutoxybenzonitrile
CAS Number:
1365272-63-4
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD21609679
IUPAC Name:
2-bromo-6-(2-methylpropoxy)benzonitrile
InChI:
InChI=1S/C11H12BrNO/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-5,8H,7H2,1-2H3
InChI Key:
ZUKLSCYYESFDIA-UHFFFAOYSA-N
SMILES:
CC(COc1cccc(c1C#N)Br)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties