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21100-68-5 | Phosphonic acid, (dichloromethyl)-, bis(4-chlorophenyl) ester (9CI)
CAS No: 21100-68-5 Catalog No: AG002L44 MDL No:
Product Description
Catalog Number:
AG002L44
Chemical Name:
Phosphonic acid, (dichloromethyl)-, bis(4-chlorophenyl) ester (9CI)
CAS Number:
21100-68-5
Molecular Formula:
C13H9Cl4O3P
Molecular Weight:
385.9945
IUPAC Name:
1-chloro-4-[(4-chlorophenoxy)-(dichloromethyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C13H9Cl4O3P/c14-9-1-5-11(6-2-9)19-21(18,13(16)17)20-12-7-3-10(15)4-8-12/h1-8,13H
InChI Key:
QPKPMOIAXIPWPZ-UHFFFAOYSA-N
SMILES:
ClC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.901g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.986g/mol
Monoisotopic Mass:
383.904g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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