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1-[3-(3,4-dichlorophenoxy)phenyl]methanamine

1-[3-(3,4-dichlorophenoxy)phenyl]methanamine

CAS: 154108-42-6

Formula: C13H11Cl2NO

SMILES: NCC1=CC(OC2=CC(Cl)=C(Cl)C=C2)=CC=C1

IUPAC: 1-[3-(3,4-dichlorophenoxy)phenyl]methanamine

InChI: InChI=1S/C13H11Cl2NO/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-7H,8,16H2

Composition: C (58.23%), H (4.14%), Cl (26.44%), N (5.22%), O (5.97%)

Molar Mass: 268.14

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 267.0217694
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey UJZRJRIQCAPOJH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.38
Topological Polar Surface Area 35.25
Polarizability 27.78
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 154108-42-6 $800.00-$4,306.00$800.00$2,640.00$4,306.00
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