3-chloro-4-fluoro-N-[2-(2-methylphenoxy)butyl]aniline

3-chloro-4-fluoro-N-[2-(2-methylphenoxy)butyl]aniline

CAS: 1040685-42-4

Formula: C17H19ClFNO

SMILES: CCC(CNC1=CC(Cl)=C(F)C=C1)OC1=C(C)C=CC=C1

IUPAC: 3-chloro-4-fluoro-N-[2-(2-methylphenoxy)butyl]aniline

InChI: InChI=1/C17H19ClFNO/c1-3-14(21-17-7-5-4-6-12(17)2)11-20-13-8-9-16(19)15(18)10-13/h4-10,14,20H,3,11H2,1-2H3

Composition: C (66.34%), H (6.22%), Cl (11.52%), F (6.17%), N (4.55%), O (5.20%)

Molar Mass: 307.79

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	307.1139201
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MUHGAWLIRHEOAX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	85.81
Topological Polar Surface Area	21.26
Polarizability	32.42
Ring Count	2
Rotatable Bond Count	6

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