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933-87-9 | 5-Bromo-1-methyl-4-nitro-1H-imidazole
CAS No: 933-87-9 Catalog No: AG006G70 MDL No:MFCD12189404
Product Description
Catalog Number:
AG006G70
Chemical Name:
5-Bromo-1-methyl-4-nitro-1H-imidazole
CAS Number:
933-87-9
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD12189404
IUPAC Name:
5-bromo-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C4H4BrN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChI Key:
PQZGBZGIQGQAFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1Br)C
NSC Number:
329116
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:
0.4
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