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104608-42-6 | Phosphinic acid,[[4-(2-benzothiazolyl)phenyl]methyl](2-oxo-3-oxazolidinyl)-, ethyl ester (9CI)
CAS No: 104608-42-6 Catalog No: AG0085TK MDL No:
Product Description
Catalog Number:
AG0085TK
Chemical Name:
Phosphinic acid,[[4-(2-benzothiazolyl)phenyl]methyl](2-oxo-3-oxazolidinyl)-, ethyl ester (9CI)
CAS Number:
104608-42-6
Molecular Formula:
C19H19N2O4PS
Molecular Weight:
402.4039
IUPAC Name:
3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C19H19N2O4PS/c1-2-25-26(23,21-11-12-24-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
InChI Key:
AMXIVYJIQFAWRM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(N1CCOC1=O)Cc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.08g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.405g/mol
Monoisotopic Mass:
402.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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