4-(3-chlorophenoxy)-3-(trifluoromethyl)aniline

4-(3-chlorophenoxy)-3-(trifluoromethyl)aniline

CAS: 946697-61-6

Formula: C13H9ClF3NO

SMILES: NC1=CC(=C(OC2=CC(Cl)=CC=C2)C=C1)C(F)(F)F

IUPAC: 4-(3-chlorophenoxy)-3-(trifluoromethyl)aniline

InChI: InChI=1S/C13H9ClF3NO/c14-8-2-1-3-10(6-8)19-12-5-4-9(18)7-11(12)13(15,16)17/h1-7H,18H2

Composition: C (54.28%), H (3.15%), Cl (12.32%), F (19.81%), N (4.87%), O (5.56%)

Molar Mass: 287.67

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.0324761
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IXXKBKWDKTUOIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.78
Topological Polar Surface Area	35.25
Polarizability	24.8
Ring Count	2
Rotatable Bond Count	3

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