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13175-04-7 | 1H-Pyrrole, 2,5-dihydro-1,2,5-triphenyl-3,4-bis(trifluoromethyl)-
CAS No: 13175-04-7 Catalog No: AG000ZP5 MDL No:
Product Description
Catalog Number:
AG000ZP5
Chemical Name:
1H-Pyrrole, 2,5-dihydro-1,2,5-triphenyl-3,4-bis(trifluoromethyl)-
CAS Number:
13175-04-7
Molecular Formula:
C24H17F6N
Molecular Weight:
433.3889
IUPAC Name:
1,2,5-triphenyl-3,4-bis(trifluoromethyl)-2,5-dihydropyrrole
InChI:
InChI=1S/C24H17F6N/c25-23(26,27)19-20(24(28,29)30)22(17-12-6-2-7-13-17)31(18-14-8-3-9-15-18)21(19)16-10-4-1-5-11-16/h1-15,21-22H
InChI Key:
PWRUXRHISUYUSR-UHFFFAOYSA-N
SMILES:
FC(C1=C(C(N(C1c1ccccc1)c1ccccc1)c1ccccc1)C(F)(F)F)(F)F
NSC Number:
103877
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.127g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.397g/mol
Monoisotopic Mass:
433.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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