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77181-80-7 | Phosphorochloridicacid, 4-chlorophenyl 5-chloro-8-quinolinyl ester
CAS No: 77181-80-7 Catalog No: AG005DEO MDL No:
Product Description
Catalog Number:
AG005DEO
Chemical Name:
Phosphorochloridicacid, 4-chlorophenyl 5-chloro-8-quinolinyl ester
CAS Number:
77181-80-7
Molecular Formula:
C15H8Cl3NO3P-
Molecular Weight:
387.5617
IUPAC Name:
chloro-[5-chloro-2-(4-chlorophenyl)quinolin-8-yl]oxyphosphinate
InChI:
InChI=1S/C15H9Cl3NO3P/c16-10-3-1-9(2-4-10)13-7-5-11-12(17)6-8-14(15(11)19-13)22-23(18,20)21/h1-8H,(H,20,21)/p-1
InChI Key:
PFAZVLWKHSAAFK-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)c1ccc2c(n1)c(ccc2Cl)OP(=O)(Cl)[O-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.931g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.557g/mol
Monoisotopic Mass:
385.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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