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308294-72-6

308294-72-6 | 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole

CAS No: 308294-72-6 Catalog No: AG019MD2 MDL No:MFCD02165421

Product Description

Catalog Number:
AG019MD2
Chemical Name:
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CAS Number:
308294-72-6
Molecular Formula:
C20H16N2O3
Molecular Weight:
332.3526
MDL Number:
MFCD02165421
IUPAC Name:
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
InChI:
InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2
InChI Key:
RYOZXDJCTOEOFN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccco1

Properties

Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.116g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.359g/mol
Monoisotopic Mass:
332.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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