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Home > Fluorides > 1228032-35-6
1228032-35-6 | 1,10-Phenanthroline, 3,8-bis[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 1228032-35-6 Catalog No: AG000JHU MDL No:MFCD30475643
Product Description
Catalog Number:
AG000JHU
Chemical Name:
1,10-Phenanthroline, 3,8-bis[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
1228032-35-6
Molecular Formula:
C28H12F12N2
Molecular Weight:
604.3891
MDL Number:
MFCD30475643
IUPAC Name:
3,8-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline
InChI:
InChI=1S/C28H12F12N2/c29-25(30,31)19-5-15(6-20(9-19)26(32,33)34)17-3-13-1-2-14-4-18(12-42-24(14)23(13)41-11-17)16-7-21(27(35,36)37)10-22(8-16)28(38,39)40/h1-12H
InChI Key:
MIMQNTAXGBCGRO-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)c1cnc2c(c1)ccc1c2ncc(c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.081g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
604.399g/mol
Monoisotopic Mass:
604.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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