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111160-56-6 | Diphenyl (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonate
CAS No: 111160-56-6 Catalog No: AG003BKL MDL No:MFCD00142793
Product Description
Catalog Number:
AG003BKL
Chemical Name:
Diphenyl (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonate
CAS Number:
111160-56-6
Molecular Formula:
C19H14NO4PS
Molecular Weight:
383.3575
MDL Number:
MFCD00142793
IUPAC Name:
3-diphenoxyphosphoryl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C19H14NO4PS/c21-25(23-15-9-3-1-4-10-15,24-16-11-5-2-6-12-16)20-17-13-7-8-14-18(17)22-19(20)26/h1-14H
InChI Key:
POSVXIWJQXSIIP-UHFFFAOYSA-N
SMILES:
S=c1oc2c(n1P(=O)(Oc1ccccc1)Oc1ccccc1)cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.358g/mol
Monoisotopic Mass:
383.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Rapid synthesis of polyamide dendrimers from unprotected AB2 building blocks. | Journal of the American Chemical Society 20030709 |
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