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24566-79-8 | 1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)-
CAS No: 24566-79-8 Catalog No: AG002OK8 MDL No:MFCD00023098
Product Description
Catalog Number:
AG002OK8
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)-
CAS Number:
24566-79-8
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
MDL Number:
MFCD00023098
IUPAC Name:
2-(6-bromohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H16BrNO2/c15-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,7-8H,1-2,5-6,9-10H2
InChI Key:
OAZFTIPKNPTDIO-UHFFFAOYSA-N
SMILES:
BrCCCCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
28852
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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