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Home > Indoles and Oxindole > 188730-25-8
188730-25-8 | 1H-Indole, 5-nitro-1-[(phenylmethoxy)methyl]-
CAS No: 188730-25-8 Catalog No: AG002H7O MDL No:
Product Description
Catalog Number:
AG002H7O
Chemical Name:
1H-Indole, 5-nitro-1-[(phenylmethoxy)methyl]-
CAS Number:
188730-25-8
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
5-nitro-1-(phenylmethoxymethyl)indole
InChI:
InChI=1S/C16H14N2O3/c19-18(20)15-6-7-16-14(10-15)8-9-17(16)12-21-11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChI Key:
RDOIJIUFTSYLKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccn2COCc1ccccc1
Properties
Complexity:
352
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:
0
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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