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3-(3-chlorophenoxy)propan-1-amine

3-(3-chlorophenoxy)propan-1-amine

CAS: 116753-50-5

Formula: C9H12ClNO

SMILES: NCCCOC1=CC(Cl)=CC=C1

IUPAC: 3-(3-chlorophenoxy)propan-1-amine

InChI: InChI=1S/C9H12ClNO/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2

Composition: C (58.23%), H (6.52%), Cl (19.09%), N (7.54%), O (8.62%)

Molar Mass: 185.65

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.0607417
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KZQPDVZJHZMSKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.14
Topological Polar Surface Area 35.25
Polarizability 19.92
Ring Count 1
Rotatable Bond Count 4

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95% <2 Days 116753-50-5 $51.35-$174.80$51.35$63.37$86.31$174.80
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