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Home > Indoles and Oxindole > 69796-46-9
69796-46-9 | 5-(Benzyloxy);-3-(2-nitrovinyl);-1H-indole
CAS No: 69796-46-9 Catalog No: AG005TMK MDL No:MFCD00152003
Product Description
Catalog Number:
AG005TMK
Chemical Name:
5-(Benzyloxy);-3-(2-nitrovinyl);-1H-indole
CAS Number:
69796-46-9
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD00152003
IUPAC Name:
3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole
InChI:
InChI=1S/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2/b9-8+
InChI Key:
VHFAFPNKRNJZPV-CMDGGOBGSA-N
SMILES:
[O-][N+](=O)/C=C/c1c[nH]c2c1cc(OCc1ccccc1)cc2
EC Number:
274-120-9
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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