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Home > Indoles and Oxindole > 120627-46-5
120627-46-5 | 1H-Indole, 6-nitro-1-(phenylmethyl)-
CAS No: 120627-46-5 Catalog No: AG00HFJO MDL No:
Product Description
Catalog Number:
AG00HFJO
Chemical Name:
1H-Indole, 6-nitro-1-(phenylmethyl)-
CAS Number:
120627-46-5
IUPAC Name:
1-benzyl-6-nitroindole
InChI:
InChI=1S/C15H12N2O2/c18-17(19)14-7-6-13-8-9-16(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11H2
InChI Key:
DMAJMPSNEPHSQO-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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