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methyl 2-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl}acetate

methyl 2-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl}acetate

CAS: 946697-79-6

Formula: C16H14F3NO3

SMILES: COC(=O)CC1=CC=C(OC2=C(C=C(N)C=C2)C(F)(F)F)C=C1

IUPAC: methyl 2-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl}acetate

InChI: InChI=1S/C16H14F3NO3/c1-22-15(21)8-10-2-5-12(6-3-10)23-14-7-4-11(20)9-13(14)16(17,18)19/h2-7,9H,8,20H2,1H3

Composition: C (59.08%), H (4.34%), F (17.52%), N (4.31%), O (14.76%)

Molar Mass: 325.287

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.092577804
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OWUKBWYDDFCBDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.05
Topological Polar Surface Area 61.55
Polarizability 29.2
Ring Count 2
Rotatable Bond Count 6

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