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10250-44-9 | 1H-Isoindole-1,3(2H)-dione, 2-(5-bromo-3-methylpentyl)-
CAS No: 10250-44-9 Catalog No: AG0007LK MDL No:
Product Description
Catalog Number:
AG0007LK
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(5-bromo-3-methylpentyl)-
CAS Number:
10250-44-9
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
IUPAC Name:
2-(5-bromo-3-methylpentyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H16BrNO2/c1-10(6-8-15)7-9-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-5,10H,6-9H2,1H3
InChI Key:
QVJPIHSXQKOJTE-UHFFFAOYSA-N
SMILES:
BrCCC(CCN1C(=O)c2c(C1=O)cccc2)C
NSC Number:
27997
Properties
Complexity:
308
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:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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