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Home > Indoles and Oxindole > 340987-11-3
340987-11-3 | 4-nitro-2-(2-phenylethyl)-1H-isoindole-1,3(2H)-dione
CAS No: 340987-11-3 Catalog No: AG00JGSB MDL No:MFCD00775872
Product Description
Catalog Number:
AG00JGSB
Chemical Name:
4-nitro-2-(2-phenylethyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
340987-11-3
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
MDL Number:
MFCD00775872
IUPAC Name:
4-nitro-2-(2-phenylethyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O4/c19-15-12-7-4-8-13(18(21)22)14(12)16(20)17(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChI Key:
FJQDQDYABDRENR-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)N1CCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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