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Home Nitriles 3-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)propanenitrile

3-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)propanenitrile

CAS No.:
90006-21-6
Catalog Number:
AG00GVG1
Molecular Formula:
C8H10BrN3
Molecular Weight:
228.0891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00GVG1
Chemical Name:
3-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)propanenitrile
CAS Number:
90006-21-6
Molecular Formula:
C8H10BrN3
Molecular Weight:
228.0891
MDL Number:
MFCD00475560
IUPAC Name:
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C8H10BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3,5H2,1-2H3
InChI Key:
VNMFMVUASGXFFE-UHFFFAOYSA-N
SMILES:
N#CCCn1nc(c(c1C)Br)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.093g/mol
Monoisotopic Mass:
227.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties