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61587-90-4 | 1H-Benzimidazole,5-methyl-6-nitro-(9CI)
CAS No: 61587-90-4 Catalog No: AG00EWHQ MDL No:
Product Description
Catalog Number:
AG00EWHQ
Chemical Name:
1H-Benzimidazole,5-methyl-6-nitro-(9CI)
CAS Number:
61587-90-4
IUPAC Name:
5-methyl-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C8H7N3O2/c1-5-2-6-7(10-4-9-6)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:
PIIBPJWEQHHEEN-UHFFFAOYSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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