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129684-52-2 | 1H-Isoindole-1,3(2H)-dione, 2-(5-amino-1-naphthalenyl)-
CAS No: 129684-52-2 Catalog No: AG000TKT MDL No:
Product Description
Catalog Number:
AG000TKT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(5-amino-1-naphthalenyl)-
CAS Number:
129684-52-2
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
IUPAC Name:
2-(5-aminonaphthalen-1-yl)isoindole-1,3-dione
InChI:
InChI=1S/C18H12N2O2/c19-15-9-3-8-12-11(15)7-4-10-16(12)20-17(21)13-5-1-2-6-14(13)18(20)22/h1-10H,19H2
InChI Key:
BBLZYIMMBAPPIB-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1c1cccc2c1cccc2N
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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