Home Nitriles 3-(4-Bromo-phenylamino)-benzonitrile

3-(4-Bromo-phenylamino)-benzonitrile

CAS No.:
458550-45-3
Catalog Number:
AG00D942
Molecular Formula:
C13H9BrN2
Molecular Weight:
273.1280
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$191
- +
1g
97%
1 week
United States
$421
- +
Product Description
Catalog Number:
AG00D942
Chemical Name:
3-(4-Bromo-phenylamino)-benzonitrile
CAS Number:
458550-45-3
Molecular Formula:
C13H9BrN2
Molecular Weight:
273.1280
MDL Number:
MFCD04115312
IUPAC Name:
3-(4-bromoanilino)benzonitrile
InChI:
InChI=1S/C13H9BrN2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8,16H
InChI Key:
KNBAHWVBIOSXQS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Nc1ccc(cc1)Br
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.133g/mol
Monoisotopic Mass:
271.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties