Home Nitriles 2-(4-Bromophenoxy)benzonitrile

2-(4-Bromophenoxy)benzonitrile

CAS No.:
330793-13-0
Catalog Number:
AG00I6DS
Molecular Formula:
C13H8BrNO
Molecular Weight:
274.1127
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00I6DS
Chemical Name:
2-(4-Bromophenoxy)benzonitrile
CAS Number:
330793-13-0
Molecular Formula:
C13H8BrNO
Molecular Weight:
274.1127
MDL Number:
MFCD10564769
IUPAC Name:
2-(4-bromophenoxy)benzonitrile
InChI:
InChI=1S/C13H8BrNO/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H
InChI Key:
QTPCNKOBARGZNB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Oc1ccc(cc1)Br
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.979g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.117g/mol
Monoisotopic Mass:
272.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties