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5805-42-5 | 1H-Benzimidazole,2-ethyl-5-nitro-(9CI)
CAS No: 5805-42-5 Catalog No: AG00EWFF MDL No:MFCD00462581
Product Description
Catalog Number:
AG00EWFF
Chemical Name:
1H-Benzimidazole,2-ethyl-5-nitro-(9CI)
CAS Number:
5805-42-5
MDL Number:
MFCD00462581
IUPAC Name:
2-ethyl-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C9H9N3O2/c1-2-9-10-7-4-3-6(12(13)14)5-8(7)11-9/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
AAJAEEPAUQTYFB-UHFFFAOYSA-N
NSC Number:
49474
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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