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101732-28-9 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(4-nitrophenoxy)butyl]-
CAS No: 101732-28-9 Catalog No: AG0005CK MDL No:
Product Description
Catalog Number:
AG0005CK
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(4-nitrophenoxy)butyl]-
CAS Number:
101732-28-9
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
IUPAC Name:
2-[4-(4-nitrophenoxy)butyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H16N2O5/c21-17-15-5-1-2-6-16(15)18(22)19(17)11-3-4-12-25-14-9-7-13(8-10-14)20(23)24/h1-2,5-10H,3-4,11-12H2
InChI Key:
DRLZMMIQNNWJQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.335g/mol
Monoisotopic Mass:
340.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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