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5-chloro-2-(3-phenylpropoxy)aniline

5-chloro-2-(3-phenylpropoxy)aniline

CAS: 946714-98-3

Formula: C15H16ClNO

SMILES: NC1=C(OCCCC2=CC=CC=C2)C=CC(Cl)=C1

IUPAC: 5-chloro-2-(3-phenylpropoxy)aniline

InChI: InChI=1S/C15H16ClNO/c16-13-8-9-15(14(17)11-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2

Composition: C (68.83%), H (6.16%), Cl (13.54%), N (5.35%), O (6.11%)

Molar Mass: 261.75

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.0920418
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BGDXVRHBAJNZPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.99
Topological Polar Surface Area 35.25
Polarizability 29.05
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 946714-98-3 $219.25$219.25
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