Home Halogens 1H-Pyrazole, 3-bromo-1-methyl-4-nitro-

1H-Pyrazole, 3-bromo-1-methyl-4-nitro-

CAS No.:
89607-15-8
Catalog Number:
AG003WUA
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
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Product Description
Catalog Number:
AG003WUA
Chemical Name:
1H-Pyrazole, 3-bromo-1-methyl-4-nitro-
CAS Number:
89607-15-8
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD00466335
IUPAC Name:
3-bromo-1-methyl-4-nitropyrazole
InChI:
InChI=1S/C4H4BrN3O2/c1-7-2-3(8(9)10)4(5)6-7/h2H,1H3
InChI Key:
BHFRSRAZJCLLDY-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties