5-bromo-2-(3,5-dimethylphenoxy)aniline

5-bromo-2-(3,5-dimethylphenoxy)aniline

CAS: 946700-26-1

Formula: C14H14BrNO

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

IUPAC: 5-bromo-2-(3,5-dimethylphenoxy)aniline

InChI: InChI=1S/C14H14BrNO/c1-9-5-10(2)7-12(6-9)17-14-4-3-11(15)8-13(14)16/h3-8H,16H2,1-2H3

Composition: C (57.55%), H (4.83%), Br (27.35%), N (4.79%), O (5.48%)

Molar Mass: 292.176

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	291.025877
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PYGKOLSBAKESAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.7
Topological Polar Surface Area	35.25
Polarizability	28.03
Ring Count	2
Rotatable Bond Count	2

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