Home Nitriles 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonitrile

4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonitrile

CAS No.:
863751-81-9
Catalog Number:
AG01DIY3
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$3135
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Product Description
Catalog Number:
AG01DIY3
Chemical Name:
4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonitrile
CAS Number:
863751-81-9
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD30478437
IUPAC Name:
4-bromo-1,5-dimethylpyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6BrN3/c1-4-6(7)5(3-8)9-10(4)2/h1-2H3
InChI Key:
VWTIUMYSFBCCCN-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(c1Br)C)C
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.975g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.039g/mol
Monoisotopic Mass:
198.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties