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101242-14-2 | 1H-Isoindole-1,3(2H)-dione, 2-[5-chloro-4-(dichloromethyl)-2-thiazolyl]-
CAS No: 101242-14-2 Catalog No: AG00040Y MDL No:
Product Description
Catalog Number:
AG00040Y
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-chloro-4-(dichloromethyl)-2-thiazolyl]-
CAS Number:
101242-14-2
Molecular Formula:
C12H5Cl3N2O2S
Molecular Weight:
347.6043
IUPAC Name:
2-[5-chloro-4-(dichloromethyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C12H5Cl3N2O2S/c13-8(14)7-9(15)20-12(16-7)17-10(18)5-3-1-2-4-6(5)11(17)19/h1-4,8H
InChI Key:
QYHVBRSUPPVZQF-UHFFFAOYSA-N
SMILES:
ClC(c1nc(sc1Cl)N1C(=O)c2c(C1=O)cccc2)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.914g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.594g/mol
Monoisotopic Mass:
345.914g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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