3-chloro-4-(2-methylphenoxy)aniline

3-chloro-4-(2-methylphenoxy)aniline

CAS: 56966-57-5

Formula: C13H12ClNO

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

IUPAC: 3-chloro-4-(2-methylphenoxy)aniline

InChI: InChI=1S/C13H12ClNO/c1-9-4-2-3-5-12(9)16-13-7-6-10(15)8-11(13)14/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	HNXNCAAQPCGIOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.85
Topological Polar Surface Area	35.25
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	2

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