Home Halogens 3-Amino-5-bromo-4-(propylamino)benzonitrile

3-Amino-5-bromo-4-(propylamino)benzonitrile

CAS No.:
1820684-58-9
Catalog Number:
AG00I0TU
Molecular Formula:
C10H12BrN3
Molecular Weight:
254.1264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I0TU
Chemical Name:
3-Amino-5-bromo-4-(propylamino)benzonitrile
CAS Number:
1820684-58-9
Molecular Formula:
C10H12BrN3
Molecular Weight:
254.1264
MDL Number:
MFCD26383430
IUPAC Name:
3-amino-5-bromo-4-(propylamino)benzonitrile
InChI:
InChI=1S/C10H12BrN3/c1-2-3-14-10-8(11)4-7(6-12)5-9(10)13/h4-5,14H,2-3,13H2,1H3
InChI Key:
OIPVTRSJJUBKCU-UHFFFAOYSA-N
SMILES:
CCCNc1c(N)cc(cc1Br)C#N
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.021g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.131g/mol
Monoisotopic Mass:
253.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties