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144080-76-2 | Phenol, 4,4'-(2,2,2-trifluoro-1-phenylethylidene)bis[2-amino-
CAS No: 144080-76-2 Catalog No: AG001IVU MDL No:
Product Description
Catalog Number:
AG001IVU
Chemical Name:
Phenol, 4,4'-(2,2,2-trifluoro-1-phenylethylidene)bis[2-amino-
CAS Number:
144080-76-2
Molecular Formula:
C20H17F3N2O2
Molecular Weight:
374.3564
IUPAC Name:
2-amino-4-[1-(3-amino-4-hydroxyphenyl)-2,2,2-trifluoro-1-phenylethyl]phenol
InChI:
InChI=1S/C20H17F3N2O2/c21-20(22,23)19(12-4-2-1-3-5-12,13-6-8-17(26)15(24)10-13)14-7-9-18(27)16(25)11-14/h1-11,26-27H,24-25H2
InChI Key:
KGRCUVXWCDKABN-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1O)C(C(F)(F)F)(c1ccc(c(c1)N)O)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.124g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
374.363g/mol
Monoisotopic Mass:
374.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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