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Home > Indoles and Oxindole > 97118-79-1
97118-79-1 | 2-((4-Oxo-4H-3,1-benzoxazin-2-yl)methyl)-1H-isoindole-1,3(2H)-dione
CAS No: 97118-79-1 Catalog No: AG0065FM MDL No:
Product Description
Catalog Number:
AG0065FM
Chemical Name:
2-((4-Oxo-4H-3,1-benzoxazin-2-yl)methyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
97118-79-1
Molecular Formula:
C17H10N2O4
Molecular Weight:
306.2723
IUPAC Name:
2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H10N2O4/c20-15-10-5-1-2-6-11(10)16(21)19(15)9-14-18-13-8-4-3-7-12(13)17(22)23-14/h1-8H,9H2
InChI Key:
FEXWXVYNEWKTKL-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2nc3ccccc3c(=O)o2)C(=O)c2c1cccc2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.277g/mol
Monoisotopic Mass:
306.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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