3-chloro-4-(2,3-dimethylphenoxy)aniline

3-chloro-4-(2,3-dimethylphenoxy)aniline

CAS: 893754-18-2

Formula: C14H14ClNO

SMILES: CC1=CC=CC(OC2=C(Cl)C=C(N)C=C2)=C1C

IUPAC: 3-chloro-4-(2,3-dimethylphenoxy)aniline

InChI: InChI=1S/C14H14ClNO/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(16)8-12(14)15/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	KHZRTBBNWRNTRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.89
Topological Polar Surface Area	35.25
Polarizability	27.21
Ring Count	2
Rotatable Bond Count	2

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