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90905-92-3

90905-92-3 | Phosphonic acid, [(3,4-dichlorophenyl)methyl]-, 1,2-ethanediylbis(2-chloroethyl) ester

CAS No: 90905-92-3 Catalog No: AG006GOL MDL No:

Product Description

Catalog Number:
AG006GOL
Chemical Name:
Phosphonic acid, [(3,4-dichlorophenyl)methyl]-, 1,2-ethanediylbis(2-chloroethyl) ester
CAS Number:
90905-92-3
Molecular Formula:
C13H15Cl4O3P
Molecular Weight:
392.0422
IUPAC Name:
5,8-dichloro-2-[(3,4-dichlorophenyl)methyl]-1,3,2λ5-dioxaphosphonane 2-oxide
InChI:
InChI=1S/C13H15Cl4O3P/c14-10-2-3-11(15)7-20-21(18,19-6-10)8-9-1-4-12(16)13(17)5-9/h1,4-5,10-11H,2-3,6-8H2
InChI Key:
SOGPWVNFDPMUII-UHFFFAOYSA-N
SMILES:
ClC1CCC(Cl)COP(=O)(OC1)Cc1ccc(c(c1)Cl)Cl

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.948g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.034g/mol
Monoisotopic Mass:
389.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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