Home Halogens Diethyl(4-chlorobutyl)phosphonate

Diethyl(4-chlorobutyl)phosphonate

CAS No.:
86791-04-0
Catalog Number:
AG00392B
Molecular Formula:
C8H18ClO3P
Molecular Weight:
228.6535
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Product Description
Catalog Number:
AG00392B
Chemical Name:
Diethyl(4-chlorobutyl)phosphonate
CAS Number:
86791-04-0
Molecular Formula:
C8H18ClO3P
Molecular Weight:
228.6535
MDL Number:
MFCD16876771
IUPAC Name:
1-chloro-4-diethoxyphosphorylbutane
InChI:
InChI=1S/C8H18ClO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-8H2,1-2H3
InChI Key:
NFDOTROBGXYZAB-UHFFFAOYSA-N
SMILES:
ClCCCCP(=O)(OCC)OCC
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.653g/mol
Monoisotopic Mass:
228.068g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties