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82104-04-9 | 1H-Isoindole-1,3(2H)-dione, 5-bromo-2-(1-naphthalenyl)-
CAS No: 82104-04-9 Catalog No: AG0051IM MDL No:
Product Description
Catalog Number:
AG0051IM
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-bromo-2-(1-naphthalenyl)-
CAS Number:
82104-04-9
Molecular Formula:
C18H10BrNO2
Molecular Weight:
352.1815
IUPAC Name:
5-bromo-2-naphthalen-1-ylisoindole-1,3-dione
InChI:
InChI=1S/C18H10BrNO2/c19-12-8-9-14-15(10-12)18(22)20(17(14)21)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H
InChI Key:
PKPPGZPEUPJIOR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.989g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.187g/mol
Monoisotopic Mass:
350.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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