Home Halogens 1H-Pyrazole-4-carbonitrile, 5-bromo-1-methyl-

1H-Pyrazole-4-carbonitrile, 5-bromo-1-methyl-

CAS No.:
1269293-80-2
Catalog Number:
AG000WE8
Molecular Formula:
C5H4BrN3
Molecular Weight:
186.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000WE8
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-bromo-1-methyl-
CAS Number:
1269293-80-2
Molecular Formula:
C5H4BrN3
Molecular Weight:
186.0094
MDL Number:
MFCD17168487
IUPAC Name:
5-bromo-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C5H4BrN3/c1-9-5(6)4(2-7)3-8-9/h3H,1H3
InChI Key:
BFZMLKFSKFFWCY-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Br)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.959g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.012g/mol
Monoisotopic Mass:
184.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties