3-fluoro-4-(3-methylphenoxy)aniline

3-fluoro-4-(3-methylphenoxy)aniline

CAS: 937597-88-1

Formula: C13H12FNO

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

IUPAC: 3-fluoro-4-(3-methylphenoxy)aniline

InChI: InChI=1S/C13H12FNO/c1-9-3-2-4-11(7-9)16-13-6-5-10(15)8-12(13)14/h2-8H,15H2,1H3

Composition: C (71.87%), H (5.57%), F (8.75%), N (6.45%), O (7.36%)

Molar Mass: 217.243

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.090292173
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	YYQJJGHSJXQJBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.26
Topological Polar Surface Area	35.25
Polarizability	23.21
Ring Count	2
Rotatable Bond Count	2

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