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100756-23-8 | Phosphonic acid, monoethyl ester, mixt. with 2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile (9CI)
CAS No: 100756-23-8 Catalog No: AG0002U0 MDL No:
Product Description
Catalog Number:
AG0002U0
Chemical Name:
Phosphonic acid, monoethyl ester, mixt. with 2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile (9CI)
CAS Number:
100756-23-8
Molecular Formula:
C10H6Cl4N2O3P+
Molecular Weight:
374.9520
IUPAC Name:
ethoxy-hydroxy-oxophosphanium;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8Cl4N2.C2H5O3P/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14;1-2-5-6(3)4/h;2H2,1H3/p+1
InChI Key:
SLCMCQIUZPRJCT-UHFFFAOYSA-O
SMILES:
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl.CCO[P+](=O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.884g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.943g/mol
Monoisotopic Mass:
372.887g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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