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104202-16-6 | 3-(4-nitrophenyl)imidazo[1,5-a]pyridine
CAS No: 104202-16-6 Catalog No: AG019MM3 MDL No:MFCD00107522
Product Description
Catalog Number:
AG019MM3
Chemical Name:
3-(4-nitrophenyl)imidazo[1,5-a]pyridine
CAS Number:
104202-16-6
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD00107522
IUPAC Name:
3-(4-nitrophenyl)imidazo[1,5-a]pyridine
InChI:
InChI=1S/C13H9N3O2/c17-16(18)11-6-4-10(5-7-11)13-14-9-12-3-1-2-8-15(12)13/h1-9H
InChI Key:
BYQQHGNPRCWMHR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ncc2n1cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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