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4-(3-chloro-4-fluorophenoxy)-3-methylaniline

4-(3-chloro-4-fluorophenoxy)-3-methylaniline

CAS: 946741-91-9

Formula: C13H11ClFNO

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

IUPAC: 4-(3-chloro-4-fluorophenoxy)-3-methylaniline

InChI: InChI=1S/C13H11ClFNO/c1-8-6-9(16)2-5-13(8)17-10-3-4-12(15)11(14)7-10/h2-7H,16H2,1H3

Composition: C (62.04%), H (4.41%), Cl (14.09%), F (7.55%), N (5.57%), O (6.36%)

Molar Mass: 251.69

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.0513198
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FTMVFFOBEJQOKG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.06
Topological Polar Surface Area 35.25
Polarizability 25.13
Ring Count 2
Rotatable Bond Count 2

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95% <2 Days 946741-91-9 $219.25$219.25
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