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Home > Fluorides > 259655-24-8
259655-24-8 | 1H-Pyrrole, 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-
CAS No: 259655-24-8 Catalog No: AG002R7Q MDL No:MFCD00729118
Product Description
Catalog Number:
AG002R7Q
Chemical Name:
1H-Pyrrole, 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-
CAS Number:
259655-24-8
Molecular Formula:
C18H11F6NO
Molecular Weight:
371.2765
MDL Number:
MFCD00729118
IUPAC Name:
1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]pyrrole
InChI:
InChI=1S/C18H11F6NO/c19-17(20,21)12-9-13(18(22,23)24)11-16(10-12)26-15-5-3-14(4-6-15)25-7-1-2-8-25/h1-11H
InChI Key:
XGBWMSNWVGQVAJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(Oc2ccc(cc2)n2cccc2)cc(c1)C(F)(F)F)(F)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.282g/mol
Monoisotopic Mass:
371.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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