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31521-95-6 | 8-Methyl-2-(4-nitro-phenyl)-imidazo[1,2-a]pyridine -3-carbaldehyde
CAS No: 31521-95-6 Catalog No: AG01F2B3 MDL No:
Product Description
Catalog Number:
AG01F2B3
Chemical Name:
8-Methyl-2-(4-nitro-phenyl)-imidazo[1,2-a]pyridine -3-carbaldehyde
CAS Number:
31521-95-6
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
InChI:
InChI=1S/C15H11N3O3/c1-10-3-2-8-17-13(9-19)14(16-15(10)17)11-4-6-12(7-5-11)18(20)21/h2-9H,1H3
InChI Key:
XNNYSZNKUJNECV-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1cccc2C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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