Home Nitriles 2-(4-Bromopyrazol-1-yl)benzonitrile

2-(4-Bromopyrazol-1-yl)benzonitrile

CAS No.:
1184023-09-3
Catalog Number:
AG0076SV
Molecular Formula:
C10H6BrN3
Molecular Weight:
248.0787
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0076SV
Chemical Name:
2-(4-Bromopyrazol-1-yl)benzonitrile
CAS Number:
1184023-09-3
Molecular Formula:
C10H6BrN3
Molecular Weight:
248.0787
MDL Number:
MFCD12779166
IUPAC Name:
2-(4-bromopyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C10H6BrN3/c11-9-6-13-14(7-9)10-4-2-1-3-8(10)5-12/h1-4,6-7H
InChI Key:
RPTLEHPSCLVUDJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1ncc(c1)Br
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.083g/mol
Monoisotopic Mass:
246.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties