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140715-57-7 | 1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)-5-nitro-
CAS No: 140715-57-7 Catalog No: AG001CQB MDL No:MFCD00833388
Product Description
Catalog Number:
AG001CQB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)-5-nitro-
CAS Number:
140715-57-7
Molecular Formula:
C14H15BrN2O4
Molecular Weight:
355.1839
MDL Number:
MFCD00833388
IUPAC Name:
2-(6-bromohexyl)-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C14H15BrN2O4/c15-7-3-1-2-4-8-16-13(18)11-6-5-10(17(20)21)9-12(11)14(16)19/h5-6,9H,1-4,7-8H2
InChI Key:
MVZFMBIPSGZNHF-UHFFFAOYSA-N
SMILES:
BrCCCCCCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.022g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.188g/mol
Monoisotopic Mass:
354.022g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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