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82104-71-0 | 1H-Isoindole-1,3(2H)-dione, 5-bromo-2-(4-methoxyphenyl)-
CAS No: 82104-71-0 Catalog No: AG005AAO MDL No:
Product Description
Catalog Number:
AG005AAO
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-bromo-2-(4-methoxyphenyl)-
CAS Number:
82104-71-0
Molecular Formula:
C15H10BrNO3
Molecular Weight:
332.1488
IUPAC Name:
5-bromo-2-(4-methoxyphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H10BrNO3/c1-20-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15(17)19/h2-8H,1H3
InChI Key:
KWLCBANTTAIVEK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Br
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.153g/mol
Monoisotopic Mass:
330.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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