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Home > Indoles and Oxindole > 13220-44-5
13220-44-5 | 2H-Indol-2-one, 1,3-dihydro-3-[(4-nitrophenyl)methyl]-
CAS No: 13220-44-5 Catalog No: AG0010CU MDL No:
Product Description
Catalog Number:
AG0010CU
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-[(4-nitrophenyl)methyl]-
CAS Number:
13220-44-5
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
3-[(4-nitrophenyl)methyl]-1,3-dihydroindol-2-one
InChI:
InChI=1S/C15H12N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-8,13H,9H2,(H,16,18)
InChI Key:
YIKKMLSHYFGMKC-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1Cc1ccc(cc1)[N+](=O)[O-])cccc2
NSC Number:
115618
Properties
Complexity:
385
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:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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