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4615-69-4 | 1H-Benzimidazole,2-methyl-5-nitro-,3-oxide(9CI)
CAS No: 4615-69-4 Catalog No: AG00DWFX MDL No:
Product Description
Catalog Number:
AG00DWFX
Chemical Name:
1H-Benzimidazole,2-methyl-5-nitro-,3-oxide(9CI)
CAS Number:
4615-69-4
IUPAC Name:
1-hydroxy-2-methyl-6-nitrobenzimidazole
InChI:
InChI=1S/C8H7N3O3/c1-5-9-7-3-2-6(11(13)14)4-8(7)10(5)12/h2-4,12H,1H3
InChI Key:
UWBNPKAUKQNJCM-UHFFFAOYSA-N
NSC Number:
116844
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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