4-(4-chlorophenoxy)-2-methylaniline

4-(4-chlorophenoxy)-2-methylaniline

CAS: 946743-01-7

Formula: C13H12ClNO

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

IUPAC: 4-(4-chlorophenoxy)-2-methylaniline

InChI: InChI=1S/C13H12ClNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3

Composition: C (66.81%), H (5.18%), Cl (15.17%), N (5.99%), O (6.85%)

Molar Mass: 233.7

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.0607417
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KYZMHOKELOMGHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.85
Topological Polar Surface Area	35.25
Polarizability	25.41
Ring Count	2
Rotatable Bond Count	2

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