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1-[1-(2-chloro-6-fluorophenyl)cyclohexyl]methanamine

1-[1-(2-chloro-6-fluorophenyl)cyclohexyl]methanamine

CAS: 771583-28-9

Formula: C13H17ClFN

SMILES: NCC1(CCCCC1)C1=C(Cl)C=CC=C1F

IUPAC: 1-[1-(2-chloro-6-fluorophenyl)cyclohexyl]methanamine

InChI: InChI=1S/C13H17ClFN/c14-10-5-4-6-11(15)12(10)13(9-16)7-2-1-3-8-13/h4-6H,1-3,7-9,16H2

Composition: C (64.59%), H (7.09%), Cl (14.66%), F (7.86%), N (5.79%)

Molar Mass: 241.73

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.1033554
Formal Charge 0
FSP3 0.54
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey XXURAZAUDLATIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.18
Topological Polar Surface Area 26.02
Polarizability 25.46
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 771583-28-9 $2,310.00-$3,630.00$2,310.00$2,970.00$3,630.00
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