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74546-79-5 | Phosphonothioic acid, phenyl-, O,O-bis(6-chloro-2-pyridinyl) ester
CAS No: 74546-79-5 Catalog No: AG005AR1 MDL No:
Product Description
Catalog Number:
AG005AR1
Chemical Name:
Phosphonothioic acid, phenyl-, O,O-bis(6-chloro-2-pyridinyl) ester
CAS Number:
74546-79-5
Molecular Formula:
C16H11Cl2N2O2PS
Molecular Weight:
397.2155
IUPAC Name:
bis[(6-chloropyridin-2-yl)oxy]-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C16H11Cl2N2O2PS/c17-13-8-4-10-15(19-13)21-23(24,12-6-2-1-3-7-12)22-16-11-5-9-14(18)20-16/h1-11H
InChI Key:
ROUHPXPXRNLNTP-UHFFFAOYSA-N
SMILES:
Clc1cccc(n1)OP(=S)(c1ccccc1)Oc1cccc(n1)Cl
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.966g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.21g/mol
Monoisotopic Mass:
395.966g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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