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866-23-9 | Diethyl trichloromethylphosphonate, 98%

CAS No: 866-23-9 Catalog No: AG003PHK MDL No:MFCD00013666

Product Description

Catalog Number:
AG003PHK
Chemical Name:
Diethyl trichloromethylphosphonate, 98%
CAS Number:
866-23-9
Molecular Formula:
C5H10Cl3O3P
Molecular Weight:
255.4639
MDL Number:
MFCD00013666
IUPAC Name:
1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
InChI:
InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChI Key:
RVAQSYWDOSHWGP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(Cl)(Cl)Cl)OCC
NSC Number:
46567

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.456g/mol
Monoisotopic Mass:
253.943g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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