Home Halogens 3,4-Dibromo-5-nitro-1H-pyrazole

3,4-Dibromo-5-nitro-1H-pyrazole

CAS No.:
104599-37-3
Catalog Number:
AG009SOD
Molecular Formula:
C3HBr2N3O2
Molecular Weight:
270.8669
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Product Description
Catalog Number:
AG009SOD
Chemical Name:
3,4-Dibromo-5-nitro-1H-pyrazole
CAS Number:
104599-37-3
Molecular Formula:
C3HBr2N3O2
Molecular Weight:
270.8669
MDL Number:
MFCD20527262
IUPAC Name:
3,4-dibromo-5-nitro-1H-pyrazole
InChI:
InChI=1S/C3HBr2N3O2/c4-1-2(5)6-7-3(1)8(9)10/h(H,6,7)
InChI Key:
OXDUHJKOCRBBCW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(c1Br)Br
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.842g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.868g/mol
Monoisotopic Mass:
268.844g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties