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87989-80-8

87989-80-8 | Phosphonic acid, (butoxymethyl)-, 2-chloro-1-(chloromethyl)ethyl3-chloropropyl ester

CAS No: 87989-80-8 Catalog No: AG004OA7 MDL No:

Product Description

Catalog Number:
AG004OA7
Chemical Name:
Phosphonic acid, (butoxymethyl)-, 2-chloro-1-(chloromethyl)ethyl3-chloropropyl ester
CAS Number:
87989-80-8
Molecular Formula:
C11H21Cl3O4P-
Molecular Weight:
354.6148
IUPAC Name:
butoxymethyl-(2,3,5-trichloro-4-methylpentoxy)phosphinate
InChI:
InChI=1S/C11H22Cl3O4P/c1-3-4-5-17-8-19(15,16)18-7-10(13)11(14)9(2)6-12/h9-11H,3-8H2,1-2H3,(H,15,16)/p-1
InChI Key:
SCTLKLAANZFXNA-UHFFFAOYSA-M
SMILES:
CCCCOCP(=O)(OCC(C(C(CCl)C)Cl)Cl)[O-]

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.024g/mol
Formal Charge:
-1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.609g/mol
Monoisotopic Mass:
353.024g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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