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87471-10-1 | 1-Benzyl-5-nitro-1H-imidazole-4-carbaldehyde
CAS No: 87471-10-1 Catalog No: AG01EDYN MDL No:
Product Description
Catalog Number:
AG01EDYN
Chemical Name:
1-Benzyl-5-nitro-1H-imidazole-4-carbaldehyde
CAS Number:
87471-10-1
IUPAC Name:
1-benzyl-5-nitroimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H9N3O3/c15-7-10-11(14(16)17)13(8-12-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
SBXCVTNNZJYOPM-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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