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Home > Indoles and Oxindole > 139725-16-9
139725-16-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-methoxyphenyl)methyl]-4-nitro-
CAS No: 139725-16-9 Catalog No: AG007KF3 MDL No:
Product Description
Catalog Number:
AG007KF3
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-methoxyphenyl)methyl]-4-nitro-
CAS Number:
139725-16-9
Molecular Formula:
C16H12N2O5
Molecular Weight:
312.2769
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O5/c1-23-11-7-5-10(6-8-11)9-17-15(19)12-3-2-4-13(18(21)22)14(12)16(17)20/h2-8H,9H2,1H3
InChI Key:
LPQVSBXDUHNZII-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.281g/mol
Monoisotopic Mass:
312.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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