Home Halogens 5-bromo-1,3-dimethyl-1H-pyrazole-4-carbonitrile

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

CAS No.:
1341871-95-1
Catalog Number:
AG01A4NG
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
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Product Description
Catalog Number:
AG01A4NG
Chemical Name:
5-bromo-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CAS Number:
1341871-95-1
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD18879013
IUPAC Name:
5-bromo-1,3-dimethylpyrazole-4-carbonitrile
InChI:
InChI=1S/C6H6BrN3/c1-4-5(3-8)6(7)10(2)9-4/h1-2H3
InChI Key:
RVPDDBMDVIUYEW-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1Br)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