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124495-56-3 | Quinoline, 7-chloro-4-[2-(trifluoromethyl)phenoxy]-
CAS No: 124495-56-3 Catalog No: AG000M4B MDL No:
Product Description
Catalog Number:
AG000M4B
Chemical Name:
Quinoline, 7-chloro-4-[2-(trifluoromethyl)phenoxy]-
CAS Number:
124495-56-3
Molecular Formula:
C16H9ClF3NO
Molecular Weight:
323.6970
IUPAC Name:
7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline
InChI:
InChI=1S/C16H9ClF3NO/c17-10-5-6-11-13(9-10)21-8-7-14(11)22-15-4-2-1-3-12(15)16(18,19)20/h1-9H
InChI Key:
MPKYZZCZMLSMAG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2Oc1ccccc1C(F)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.699g/mol
Monoisotopic Mass:
323.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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