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101351-09-1 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-aminophenoxy)ethyl]-
CAS No: 101351-09-1 Catalog No: AG0004AT MDL No:MFCD00418191
Product Description
Catalog Number:
AG0004AT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-aminophenoxy)ethyl]-
CAS Number:
101351-09-1
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD00418191
IUPAC Name:
2-[2-(4-aminophenoxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10,17H2
InChI Key:
MWIHYGXYALYNNF-UHFFFAOYSA-N
SMILES:
O=C1N(CCOc2ccc(cc2)N)C(=O)c2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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