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73306-98-6 | (2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-phosphorane
CAS No: 73306-98-6 Catalog No: AG005F7K MDL No:
Product Description
Catalog Number:
AG005F7K
Chemical Name:
(2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-phosphorane
CAS Number:
73306-98-6
Molecular Formula:
C13H11Cl2O2PS
Molecular Weight:
333.1700
IUPAC Name:
(2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C13H11Cl2O2PS/c1-16-18(19,11-5-3-2-4-6-11)17-13-9-10(14)7-8-12(13)15/h2-9H,1H3
InChI Key:
HBGSTGQUUANUBS-UHFFFAOYSA-N
SMILES:
COP(=S)(c1ccccc1)Oc1cc(Cl)ccc1Cl
RTECS Number:
TB1736000
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.959g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.163g/mol
Monoisotopic Mass:
331.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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