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138989-46-5 | Phosphonic acid, (1-chlorooctyl)-, dibutyl ester (9CI)
CAS No: 138989-46-5 Catalog No: AG0019YJ MDL No:
Product Description
Catalog Number:
AG0019YJ
Chemical Name:
Phosphonic acid, (1-chlorooctyl)-, dibutyl ester (9CI)
CAS Number:
138989-46-5
Molecular Formula:
C16H34ClO3P
Molecular Weight:
340.8661
IUPAC Name:
1-chloro-1-dibutoxyphosphoryloctane
InChI:
InChI=1S/C16H34ClO3P/c1-4-7-10-11-12-13-16(17)21(18,19-14-8-5-2)20-15-9-6-3/h16H,4-15H2,1-3H3
InChI Key:
OVPFTZOYKINLTR-UHFFFAOYSA-N
SMILES:
CCCCCCCC(P(=O)(OCCCC)OCCCC)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.193g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.869g/mol
Monoisotopic Mass:
340.193g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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