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23430-24-2 | 1H-Imidazole, 1-(4-bromobutyl)-2-methyl-4-nitro-
CAS No: 23430-24-2 Catalog No: AG002N72 MDL No:
Product Description
Catalog Number:
AG002N72
Chemical Name:
1H-Imidazole, 1-(4-bromobutyl)-2-methyl-4-nitro-
CAS Number:
23430-24-2
Molecular Formula:
C8H12BrN3O2
Molecular Weight:
262.1038
IUPAC Name:
1-(4-bromobutyl)-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C8H12BrN3O2/c1-7-10-8(12(13)14)6-11(7)5-3-2-4-9/h6H,2-5H2,1H3
InChI Key:
YIMBSFLFACSQLO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C)CCCCBr
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.107g/mol
Monoisotopic Mass:
261.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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