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142222-98-8 | 1H-Pyrrole, 3-bromo-2-(4-chlorophenyl)-4,5-bis(trifluoromethyl)-
CAS No: 142222-98-8 Catalog No: AG001I0H MDL No:
Product Description
Catalog Number:
AG001I0H
Chemical Name:
1H-Pyrrole, 3-bromo-2-(4-chlorophenyl)-4,5-bis(trifluoromethyl)-
CAS Number:
142222-98-8
Molecular Formula:
C12H5BrClF6N
Molecular Weight:
392.5222
IUPAC Name:
3-bromo-2-(4-chlorophenyl)-4,5-bis(trifluoromethyl)-1H-pyrrole
InChI:
InChI=1S/C12H5BrClF6N/c13-8-7(11(15,16)17)10(12(18,19)20)21-9(8)5-1-3-6(14)4-2-5/h1-4,21H
InChI Key:
HHQBNUTZXQXVJA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]c(c(c1Br)C(F)(F)F)C(F)(F)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.92g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.523g/mol
Monoisotopic Mass:
390.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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