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2-{[(2-fluorophenyl)methyl]amino}-2-methylpropan-1-ol hydrochloride

2-{[(2-fluorophenyl)methyl]amino}-2-methylpropan-1-ol hydrochloride

CAS: 1050076-28-2

Formula: C11H17ClFNO

SMILES: Cl.CC(C)(CO)NCC1=C(F)C=CC=C1

IUPAC: 2-{[(2-fluorophenyl)methyl]amino}-2-methylpropan-1-ol hydrochloride

InChI: InChI=1S/C11H16FNO.ClH/c1-11(2,8-14)13-7-9-5-3-4-6-10(9)12;/h3-6,13-14H,7-8H2,1-2H3;1H

Composition: C (56.53%), H (7.33%), Cl (15.17%), F (8.13%), N (5.99%), O (6.85%)

Molar Mass: 233.71

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.09827
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DXTVVSCEYAGZOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.87
Topological Polar Surface Area 32.26
Polarizability 21.33
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1050076-28-2 $58.65-$232.30$58.65$232.30
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