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Home > Bromides > 1199556-87-0
1199556-87-0 | 1H-Isoindole-1,3(2H)-dione, 2-[1-(4-bromophenyl)-3-oxocyclobutyl]-
CAS No: 1199556-87-0 Catalog No: AG000PVT MDL No:MFCD22199280
Product Description
Catalog Number:
AG000PVT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[1-(4-bromophenyl)-3-oxocyclobutyl]-
CAS Number:
1199556-87-0
Molecular Formula:
C18H12BrNO3
Molecular Weight:
370.1968
MDL Number:
MFCD22199280
IUPAC Name:
2-[1-(4-bromophenyl)-3-oxocyclobutyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H12BrNO3/c19-12-7-5-11(6-8-12)18(9-13(21)10-18)20-16(22)14-3-1-2-4-15(14)17(20)23/h1-8H,9-10H2
InChI Key:
GSLJDPZJCAZEKA-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)(c1ccc(cc1)Br)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.202g/mol
Monoisotopic Mass:
369g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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