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Home > Bromides > 1287217-72-4
1287217-72-4 | 7-Bromo-1-methyl-5-nitro-1H-benzimidazole
CAS No: 1287217-72-4 Catalog No: AG01FBJV MDL No:
Product Description
Catalog Number:
AG01FBJV
Chemical Name:
7-Bromo-1-methyl-5-nitro-1H-benzimidazole
CAS Number:
1287217-72-4
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
7-bromo-1-methyl-5-nitrobenzimidazole
InChI:
InChI=1S/C8H6BrN3O2/c1-11-4-10-7-3-5(12(13)14)2-6(9)8(7)11/h2-4H,1H3
InChI Key:
UBINNCDFKGPEBS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c2c(c1)ncn2C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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