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Home > Indoles and Oxindole > 30777-85-6
30777-85-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-nitrophenyl)methoxy]-
CAS No: 30777-85-6 Catalog No: AG003195 MDL No:MFCD00517030
Product Description
Catalog Number:
AG003195
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-nitrophenyl)methoxy]-
CAS Number:
30777-85-6
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
MDL Number:
MFCD00517030
IUPAC Name:
2-[(4-nitrophenyl)methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C15H10N2O5/c18-14-12-3-1-2-4-13(12)15(19)16(14)22-9-10-5-7-11(8-6-10)17(20)21/h1-8H,9H2
InChI Key:
KICBTWPSVKJQLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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