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Home > Indoles and Oxindole > 1349718-12-2
1349718-12-2 | 3-(6-Nitro-1H-indol-1-yl)benzyl alcohol
CAS No: 1349718-12-2 Catalog No: AG01FCC2 MDL No:
Product Description
Catalog Number:
AG01FCC2
Chemical Name:
3-(6-Nitro-1H-indol-1-yl)benzyl alcohol
CAS Number:
1349718-12-2
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
[3-(6-nitroindol-1-yl)phenyl]methanol
InChI:
InChI=1S/C15H12N2O3/c18-10-11-2-1-3-13(8-11)16-7-6-12-4-5-14(17(19)20)9-15(12)16/h1-9,18H,10H2
InChI Key:
AIFZFNQGUAQWTB-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)n1ccc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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