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89607-13-6 | 5-Bromo-1-methyl-4-nitro-1H-pyrazole
CAS No: 89607-13-6 Catalog No: AG003XIZ MDL No:MFCD00195044
Product Description
Catalog Number:
AG003XIZ
Chemical Name:
5-Bromo-1-methyl-4-nitro-1H-pyrazole
CAS Number:
89607-13-6
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD00195044
IUPAC Name:
5-bromo-1-methyl-4-nitropyrazole
InChI:
InChI=1S/C4H4BrN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3
InChI Key:
KCQAFBHIKMXFNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1Br)C
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
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