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150618-78-3 | 1H-Pyrrole, 2,3-dichloro-5-(4-chlorophenyl)-4-[(trifluoromethyl)sulfonyl]-
CAS No: 150618-78-3 Catalog No: AG001MRC MDL No:
Product Description
Catalog Number:
AG001MRC
Chemical Name:
1H-Pyrrole, 2,3-dichloro-5-(4-chlorophenyl)-4-[(trifluoromethyl)sulfonyl]-
CAS Number:
150618-78-3
Molecular Formula:
C11H5Cl3F3NO2S
Molecular Weight:
378.5821
IUPAC Name:
2,3-dichloro-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole
InChI:
InChI=1S/C11H5Cl3F3NO2S/c12-6-3-1-5(2-4-6)8-9(7(13)10(14)18-8)21(19,20)11(15,16)17/h1-4,18H
InChI Key:
AEILGJJYTBSLAR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]c(c(c1S(=O)(=O)C(F)(F)F)Cl)Cl
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.906g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.571g/mol
Monoisotopic Mass:
376.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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