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Home > Aldehydes > 150445-97-9
150445-97-9 | 1-((4-Chlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde, O-((3-nitrophenyl)methyl)oxime
CAS No: 150445-97-9 Catalog No: AG00AXDY MDL No:
Product Description
Catalog Number:
AG00AXDY
Chemical Name:
1-((4-Chlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde, O-((3-nitrophenyl)methyl)oxime
CAS Number:
150445-97-9
IUPAC Name:
(E)-1-[1-[(4-chlorophenyl)methyl]-5-nitrobenzimidazol-2-yl]-N-[(3-nitrophenyl)methoxy]methanimine
InChI:
InChI=1S/C22H16ClN5O5/c23-17-6-4-15(5-7-17)13-26-21-9-8-19(28(31)32)11-20(21)25-22(26)12-24-33-14-16-2-1-3-18(10-16)27(29)30/h1-12H,13-14H2/b24-12+
InChI Key:
BFBKOBZOHCVZBE-WYMPLXKRSA-N
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
465.084g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.85g/mol
Monoisotopic Mass:
465.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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