Home Halogens 4-(bromomethyl)-1-methyl-3-nitro-1H-pyrazole

4-(bromomethyl)-1-methyl-3-nitro-1H-pyrazole

CAS No.:
1306604-03-4
Catalog Number:
AG01AIJV
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
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Product Description
Catalog Number:
AG01AIJV
Chemical Name:
4-(bromomethyl)-1-methyl-3-nitro-1H-pyrazole
CAS Number:
1306604-03-4
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
MDL Number:
MFCD18839129
IUPAC Name:
4-(bromomethyl)-1-methyl-3-nitropyrazole
InChI:
InChI=1S/C5H6BrN3O2/c1-8-3-4(2-6)5(7-8)9(10)11/h3H,2H2,1H3
InChI Key:
FMHJHLKSJPGGKL-UHFFFAOYSA-N
SMILES:
BrCc1cn(nc1[N+](=O)[O-])C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.964g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.026g/mol
Monoisotopic Mass:
218.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties