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113813-22-2 | Phosphinic acid, bis(2-oxo-3-oxazolidinyl)-, 4-chlorophenyl ester (9CI)
CAS No: 113813-22-2 Catalog No: AG0009RA MDL No:
Product Description
Catalog Number:
AG0009RA
Chemical Name:
Phosphinic acid, bis(2-oxo-3-oxazolidinyl)-, 4-chlorophenyl ester (9CI)
CAS Number:
113813-22-2
Molecular Formula:
C12H12ClN2O6P
Molecular Weight:
346.6602
IUPAC Name:
3-[(4-chlorophenoxy)-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H12ClN2O6P/c13-9-1-3-10(4-2-9)21-22(18,14-5-7-19-11(14)16)15-6-8-20-12(15)17/h1-4H,5-8H2
InChI Key:
HFOMJJSHEUFBLC-UHFFFAOYSA-N
SMILES:
O=C1OCCN1P(=O)(N1CCOC1=O)Oc1ccc(cc1)Cl
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.012g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.66g/mol
Monoisotopic Mass:
346.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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