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Home > Aldehydes > 154927-05-6
154927-05-6 | 1H-Imidazole-5-carboxaldehyde, 4-nitro-1-(phenylmethyl)-
CAS No: 154927-05-6 Catalog No: AG001NHG MDL No:
Product Description
Catalog Number:
AG001NHG
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-nitro-1-(phenylmethyl)-
CAS Number:
154927-05-6
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
3-benzyl-5-nitroimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H9N3O3/c15-7-10-11(14(16)17)12-8-13(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
JIHHSMKAVRMBRP-UHFFFAOYSA-N
SMILES:
O=Cc1n(cnc1[N+](=O)[O-])Cc1ccccc1
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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