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Home > Nitro Compounds > 1187169-65-8
1187169-65-8 | 4-(4-Nitrobenzoyl)isoquinoline
CAS No: 1187169-65-8 Catalog No: AG01FEZY MDL No:
Product Description
Catalog Number:
AG01FEZY
Chemical Name:
4-(4-Nitrobenzoyl)isoquinoline
CAS Number:
1187169-65-8
Molecular Formula:
C16H10N2O3
Molecular Weight:
278.2622
IUPAC Name:
isoquinolin-4-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C16H10N2O3/c19-16(11-5-7-13(8-6-11)18(20)21)15-10-17-9-12-3-1-2-4-14(12)15/h1-10H
InChI Key:
FSXLAFAJNPKRIU-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.267g/mol
Monoisotopic Mass:
278.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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