Home Nitriles 3-Bromo-5-(4-methoxy-benzyloxy)-benzonitrile

3-Bromo-5-(4-methoxy-benzyloxy)-benzonitrile

CAS No.:
1068604-45-4
Catalog Number:
AG0093NP
Molecular Formula:
C15H12BrNO2
Molecular Weight:
318.1653
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$244
- +
5g
98%
In Stock USA
United States
$857
- +
10g
98%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG0093NP
Chemical Name:
3-Bromo-5-(4-methoxy-benzyloxy)-benzonitrile
CAS Number:
1068604-45-4
Molecular Formula:
C15H12BrNO2
Molecular Weight:
318.1653
MDL Number:
MFCD28968029
IUPAC Name:
3-bromo-5-[(4-methoxyphenyl)methoxy]benzonitrile
InChI:
InChI=1S/C15H12BrNO2/c1-18-14-4-2-11(3-5-14)10-19-15-7-12(9-17)6-13(16)8-15/h2-8H,10H2,1H3
InChI Key:
QMBBGCLINHISLC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1cc(Br)cc(c1)C#N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.005g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.17g/mol
Monoisotopic Mass:
317.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties