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N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide hydrochloride

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide hydrochloride

CAS: 128311-08-0

Formula: C14H18Cl2N2O

SMILES: Cl.ClC1=CC=C(C=C1)C(=O)N[C@@H]1CN2CCC1CC2

IUPAC: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide hydrochloride

InChI: InChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m1./s1

Composition: C (55.83%), H (6.02%), Cl (23.54%), N (9.30%), O (5.31%)

Molar Mass: 301.21

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 300.0796186
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HSEQUIRZHDYOIX-BTQNPOSSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.81
Topological Polar Surface Area 32.34
Polarizability 27.99
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
98% <10 Days 128311-08-0 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 128311-08-0 $312.73-$771.73$312.73$438.83$771.73
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