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

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

CAS No.:
175137-59-4
Catalog Number:
AG0020CJ
Molecular Formula:
C7H8BrN3
Molecular Weight:
214.0625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0020CJ
Chemical Name:
(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetonitrile
CAS Number:
175137-59-4
Molecular Formula:
C7H8BrN3
Molecular Weight:
214.0625
MDL Number:
MFCD00084904
IUPAC Name:
2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C7H8BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h4H2,1-2H3
InChI Key:
QQTALTIGHKIMSM-UHFFFAOYSA-N
SMILES:
N#CCn1nc(c(c1C)Br)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.99g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.066g/mol
Monoisotopic Mass:
212.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties