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101848-68-4 | 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-, mixt. with 1-(2,4-dichlorophenyl)-2-(3-pyridinyl)ethanone O-methyloxime (9CI)
CAS No: 101848-68-4 Catalog No: AG0005PO MDL No:
Product Description
Catalog Number:
AG0005PO
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-, mixt. with 1-(2,4-dichlorophenyl)-2-(3-pyridinyl)ethanone O-methyloxime (9CI)
CAS Number:
101848-68-4
IUPAC Name:
1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C14H12Cl2N2O.C9H8Cl3NO2S/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16;10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h2-6,8-9H,7H2,1H3;1-2,5-6H,3-4H2
InChI Key:
YYCQCIVDPGDLEQ-UHFFFAOYSA-N
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.964g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
595.741g/mol
Monoisotopic Mass:
592.967g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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