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140173-22-4 | Phosphonic acid, (2-chloroheptyl)-, bis(2-chloroethyl) ester (9CI)
CAS No: 140173-22-4 Catalog No: AG001C4A MDL No:
Product Description
Catalog Number:
AG001C4A
Chemical Name:
Phosphonic acid, (2-chloroheptyl)-, bis(2-chloroethyl) ester (9CI)
CAS Number:
140173-22-4
Molecular Formula:
C11H22Cl3O3P
Molecular Weight:
339.6233
IUPAC Name:
1-[bis(2-chloroethoxy)phosphoryl]-2-chloroheptane
InChI:
InChI=1S/C11H22Cl3O3P/c1-2-3-4-5-11(14)10-18(15,16-8-6-12)17-9-7-13/h11H,2-10H2,1H3
InChI Key:
TUIUMPSGCJZMFA-UHFFFAOYSA-N
SMILES:
CCCCCC(CP(=O)(OCCCl)OCCCl)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.618g/mol
Monoisotopic Mass:
338.037g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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