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142223-22-1 | 1H-Pyrrole, 5-(3,4-dichlorophenyl)-2,3-bis(trifluoromethyl)-
CAS No: 142223-22-1 Catalog No: AG001I0G MDL No:
Product Description
Catalog Number:
AG001I0G
Chemical Name:
1H-Pyrrole, 5-(3,4-dichlorophenyl)-2,3-bis(trifluoromethyl)-
CAS Number:
142223-22-1
Molecular Formula:
C12H5Cl2F6N
Molecular Weight:
348.0712
IUPAC Name:
5-(3,4-dichlorophenyl)-2,3-bis(trifluoromethyl)-1H-pyrrole
InChI:
InChI=1S/C12H5Cl2F6N/c13-7-2-1-5(3-8(7)14)9-4-6(11(15,16)17)10(21-9)12(18,19)20/h1-4,21H
InChI Key:
KBBNZTSMHLOPHF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)c1cc(c([nH]1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.97g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.069g/mol
Monoisotopic Mass:
346.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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