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Home > Indoles and Oxindole > 127168-68-7
127168-68-7 | 1H-Isoindole, 2,3-dihydro-5-nitro-2-(phenylmethyl)-
CAS No: 127168-68-7 Catalog No: AG000WQH MDL No:MFCD12406115
Product Description
Catalog Number:
AG000WQH
Chemical Name:
1H-Isoindole, 2,3-dihydro-5-nitro-2-(phenylmethyl)-
CAS Number:
127168-68-7
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
MDL Number:
MFCD12406115
IUPAC Name:
2-benzyl-5-nitro-1,3-dihydroisoindole
InChI:
InChI=1S/C15H14N2O2/c18-17(19)15-7-6-13-10-16(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChI Key:
YOSBGQUETRDJDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CN(C2)Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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