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N-[2-(2-tert-butylphenoxy)ethyl]-3,5-dichloroaniline

N-[2-(2-tert-butylphenoxy)ethyl]-3,5-dichloroaniline

CAS: 1040686-46-1

Formula: C18H21Cl2NO

SMILES: CC(C)(C)C1=C(OCCNC2=CC(Cl)=CC(Cl)=C2)C=CC=C1

IUPAC: N-[2-(2-tert-butylphenoxy)ethyl]-3,5-dichloroaniline

InChI: InChI=1S/C18H21Cl2NO/c1-18(2,3)16-6-4-5-7-17(16)22-9-8-21-15-11-13(19)10-14(20)12-15/h4-7,10-12,21H,8-9H2,1-3H3

Composition: C (63.91%), H (6.26%), Cl (20.96%), N (4.14%), O (4.73%)

Molar Mass: 338.27

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.1000197
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SXXDLACIGNXPRX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.08
Topological Polar Surface Area 21.26
Polarizability 36.44
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1040686-46-1 $212.83$212.83
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