4-(3-tert-butylphenoxy)-3-chloroaniline

4-(3-tert-butylphenoxy)-3-chloroaniline

CAS: 940307-29-9

Formula: C16H18ClNO

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

IUPAC: 4-(3-tert-butylphenoxy)-3-chloroaniline

InChI: InChI=1S/C16H18ClNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(18)10-14(15)17/h4-10H,18H2,1-3H3

Composition: C (69.69%), H (6.58%), Cl (12.85%), N (5.08%), O (5.80%)

Molar Mass: 275.78

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.1076919
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PZFALNXRZMUOFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.47
Topological Polar Surface Area	35.25
Polarizability	30.97
Ring Count	2
Rotatable Bond Count	3

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