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3733-84-4 | 2-{[ethoxy(propan-2-yloxy)phosphorothioyl]oxy}-1h-isoindole-1,3(2h)-dione
CAS No: 3733-84-4 Catalog No: AG007A0B MDL No:
Product Description
Catalog Number:
AG007A0B
Chemical Name:
2-{[ethoxy(propan-2-yloxy)phosphorothioyl]oxy}-1h-isoindole-1,3(2h)-dione
CAS Number:
3733-84-4
Molecular Formula:
C13H16NO5PS
Molecular Weight:
329.3086
IUPAC Name:
2-[ethoxy(propan-2-yloxy)phosphinothioyl]oxyisoindole-1,3-dione
InChI:
InChI=1S/C13H16NO5PS/c1-4-17-20(21,18-9(2)3)19-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-9H,4H2,1-3H3
InChI Key:
IXLQATCUQZJKGG-UHFFFAOYSA-N
SMILES:
CCOP(=S)(ON1C(=O)c2c(C1=O)cccc2)OC(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.307g/mol
Monoisotopic Mass:
329.049g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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