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847846-88-2 | 1H-Indole, 3-[1-(2-furanyl)-2-nitropropyl]-
CAS No: 847846-88-2 Catalog No: AG004OM6 MDL No:
Product Description
Catalog Number:
AG004OM6
Chemical Name:
1H-Indole, 3-[1-(2-furanyl)-2-nitropropyl]-
CAS Number:
847846-88-2
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
3-[1-(furan-2-yl)-2-nitropropyl]-1H-indole
InChI:
InChI=1S/C15H14N2O3/c1-10(17(18)19)15(14-7-4-8-20-14)12-9-16-13-6-3-2-5-11(12)13/h2-10,15-16H,1H3
InChI Key:
QVTSBJFIWMXIPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(c1c[nH]c2c1cccc2)c1ccco1)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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