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17816-25-0 | 1,10-Phenanthroline, 7-ethoxy-1-ethyl-1,2,3,4-tetrahydro-6-methoxy-9-(trifluoromethyl)-
CAS No: 17816-25-0 Catalog No: AG0025SN MDL No:
Product Description
Catalog Number:
AG0025SN
Chemical Name:
1,10-Phenanthroline, 7-ethoxy-1-ethyl-1,2,3,4-tetrahydro-6-methoxy-9-(trifluoromethyl)-
CAS Number:
17816-25-0
Molecular Formula:
C18H21F3N2O2
Molecular Weight:
354.3667
IUPAC Name:
7-ethoxy-1-ethyl-6-methoxy-9-(trifluoromethyl)-3,4-dihydro-2H-1,10-phenanthroline
InChI:
InChI=1S/C18H21F3N2O2/c1-4-23-8-6-7-11-9-12(24-3)15-13(25-5-2)10-14(18(19,20)21)22-16(15)17(11)23/h9-10H,4-8H2,1-3H3
InChI Key:
ODUOKDOJKMASBY-UHFFFAOYSA-N
SMILES:
CCOc1cc(nc2c1c(OC)cc1c2N(CC)CCC1)C(F)(F)F
NSC Number:
141043
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.373g/mol
Monoisotopic Mass:
354.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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