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81152-87-6

81152-87-6 | 2H-Indeno[1,2-b]pyridin-2-one, 1,3,4,5-tetrahydro-5-(4-nitrophenyl)-

CAS No: 81152-87-6 Catalog No: AG005GDB MDL No:

Product Description

Catalog Number:
AG005GDB
Chemical Name:
2H-Indeno[1,2-b]pyridin-2-one, 1,3,4,5-tetrahydro-5-(4-nitrophenyl)-
CAS Number:
81152-87-6
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
5-(4-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one
InChI:
InChI=1S/C18H14N2O3/c21-16-10-9-15-17(11-5-7-12(8-6-11)20(22)23)13-3-1-2-4-14(13)18(15)19-16/h1-8,17H,9-10H2,(H,19,21)
InChI Key:
PJMYDNUYCRXFNB-UHFFFAOYSA-N
SMILES:
O=C1CCC2=C(N1)c1ccccc1C2c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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