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3-chloro-2-methyl-N-[2-(3-methylphenoxy)propyl]aniline

3-chloro-2-methyl-N-[2-(3-methylphenoxy)propyl]aniline

CAS: 1040688-07-0

Formula: C17H20ClNO

SMILES: CC(CNC1=C(C)C(Cl)=CC=C1)OC1=CC(C)=CC=C1

IUPAC: 3-chloro-2-methyl-N-[2-(3-methylphenoxy)propyl]aniline

InChI: InChI=1/C17H20ClNO/c1-12-6-4-7-15(10-12)20-13(2)11-19-17-9-5-8-16(18)14(17)3/h4-10,13,19H,11H2,1-3H3

Composition: C (70.46%), H (6.96%), Cl (12.23%), N (4.83%), O (5.52%)

Molar Mass: 289.8

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 289.123342
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZADWWWCYWBZKMR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 86.11
Topological Polar Surface Area 21.26
Polarizability 32.66
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1040688-07-0 $212.83$212.83
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