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87388-87-2 | 1H-Pyrrole, 3-acetyl-4-(2-chlorophenyl)-1-[(trichloromethyl)thio]-
CAS No: 87388-87-2 Catalog No: AG004NQH MDL No:
Product Description
Catalog Number:
AG004NQH
Chemical Name:
1H-Pyrrole, 3-acetyl-4-(2-chlorophenyl)-1-[(trichloromethyl)thio]-
CAS Number:
87388-87-2
Molecular Formula:
C13H9Cl4NOS
Molecular Weight:
369.0937
IUPAC Name:
1-[4-(2-chlorophenyl)-1-(trichloromethylsulfanyl)pyrrol-3-yl]ethanone
InChI:
InChI=1S/C13H9Cl4NOS/c1-8(19)10-6-18(20-13(15,16)17)7-11(10)9-4-2-3-5-12(9)14/h2-7H,1H3
InChI Key:
IWSBUOVSFPKJTJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cn(cc1c1ccccc1Cl)SC(Cl)(Cl)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.913g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.081g/mol
Monoisotopic Mass:
366.916g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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