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Home > Indoles and Oxindole > 127028-21-1
127028-21-1 | 1H-Indole, 3-methyl-5-nitro-7-(phenylmethoxy)-
CAS No: 127028-21-1 Catalog No: AG000WL0 MDL No:MFCD09033104
Product Description
Catalog Number:
AG000WL0
Chemical Name:
1H-Indole, 3-methyl-5-nitro-7-(phenylmethoxy)-
CAS Number:
127028-21-1
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD09033104
IUPAC Name:
3-methyl-5-nitro-7-phenylmethoxy-1H-indole
InChI:
InChI=1S/C16H14N2O3/c1-11-9-17-16-14(11)7-13(18(19)20)8-15(16)21-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChI Key:
QDUILDQBDKMCPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCc2ccccc2)c2c(c1)c(C)c[nH]2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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