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Home > Bromides > 1199556-86-9
1199556-86-9 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]oct-2-yl]-
CAS No: 1199556-86-9 Catalog No: AG000PVU MDL No:MFCD21648239
Product Description
Catalog Number:
AG000PVU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]oct-2-yl]-
CAS Number:
1199556-86-9
Molecular Formula:
C20H16BrNO4
Molecular Weight:
414.2493
MDL Number:
MFCD21648239
IUPAC Name:
2-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C20H16BrNO4/c21-14-7-5-13(6-8-14)19(11-20(12-19)25-9-10-26-20)22-17(23)15-3-1-2-4-16(15)18(22)24/h1-8H,9-12H2
InChI Key:
SRQOEALLKYZTFD-UHFFFAOYSA-N
SMILES:
O=C1N(C(=O)c2c1cccc2)C1(CC2(C1)OCCO2)c1ccc(cc1)Br
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.026g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.255g/mol
Monoisotopic Mass:
413.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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