2-(2-chloro-5-methylphenoxy)-5-(trifluoromethyl)aniline

2-(2-chloro-5-methylphenoxy)-5-(trifluoromethyl)aniline

CAS: 946715-39-5

Formula: C14H11ClF3NO

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

IUPAC: 2-(2-chloro-5-methylphenoxy)-5-(trifluoromethyl)aniline

InChI: InChI=1S/C14H11ClF3NO/c1-8-2-4-10(15)13(6-8)20-12-5-3-9(7-11(12)19)14(16,17)18/h2-7H,19H2,1H3

Composition: C (55.74%), H (3.68%), Cl (11.75%), F (18.89%), N (4.64%), O (5.30%)

Molar Mass: 301.69

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.0481262
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XJUKBAGJRXOMJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.82
Topological Polar Surface Area	35.25
Polarizability	26.56
Ring Count	2
Rotatable Bond Count	3

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