5-chloro-2-(2,4-dimethylphenoxy)aniline

5-chloro-2-(2,4-dimethylphenoxy)aniline

CAS: 937606-29-6

Formula: C14H14ClNO

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

IUPAC: 5-chloro-2-(2,4-dimethylphenoxy)aniline

InChI: InChI=1S/C14H14ClNO/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3

Composition: C (67.88%), H (5.70%), Cl (14.31%), N (5.65%), O (6.46%)

Molar Mass: 247.72

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.0763918
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NMMSDCGRGSGISH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.89
Topological Polar Surface Area	35.25
Polarizability	27.18
Ring Count	2
Rotatable Bond Count	2

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