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132227-63-5 | 1H-Pyrrole-2,5-dione, 3-[(3-chlorophenyl)thio]-1-methyl-
CAS No: 132227-63-5 Catalog No: AG0010EZ MDL No:
Product Description
Catalog Number:
AG0010EZ
Chemical Name:
1H-Pyrrole-2,5-dione, 3-[(3-chlorophenyl)thio]-1-methyl-
CAS Number:
132227-63-5
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
IUPAC Name:
3-(3-chlorophenyl)sulfanyl-1-methylpyrrole-2,5-dione
InChI:
InChI=1S/C11H8ClNO2S/c1-13-10(14)6-9(11(13)15)16-8-4-2-3-7(12)5-8/h2-6H,1H3
InChI Key:
OHMATXGDEIGXJL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)SC1=CC(=O)N(C1=O)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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