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138249-09-9 | Phosphonic acid, (3,5,6-trichloro-2-pyridinyl)-, diethyl ester (9CI)
CAS No: 138249-09-9 Catalog No: AG0018DI MDL No:
Product Description
Catalog Number:
AG0018DI
Chemical Name:
Phosphonic acid, (3,5,6-trichloro-2-pyridinyl)-, diethyl ester (9CI)
CAS Number:
138249-09-9
Molecular Formula:
C9H11Cl3NO3P
Molecular Weight:
318.5213
IUPAC Name:
2,3,5-trichloro-6-diethoxyphosphorylpyridine
InChI:
InChI=1S/C9H11Cl3NO3P/c1-3-15-17(14,16-4-2)9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChI Key:
PERZOYFMJHWITE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1nc(Cl)c(cc1Cl)Cl)OCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.954g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.515g/mol
Monoisotopic Mass:
316.954g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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