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(1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-{[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino}ethan-1-ol hydrochloride

(1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-{[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino}ethan-1-ol hydrochloride

CAS: 152520-56-4

Formula: C22H26ClF2NO4

SMILES: Cl.O[C@H](CNC[C@@H](O)[C@@H]1CCC2=CC(F)=CC=C2O1)[C@H]1CCC2=CC(F)=CC=C2O1

IUPAC: (1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-{[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino}ethan-1-ol hydrochloride

InChI: InChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m1./s1

Composition: C (59.80%), H (5.93%), Cl (8.02%), F (8.60%), N (3.17%), O (14.48%)

Molar Mass: 441.9

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names nebivolol hydrochloride
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 441.1518423
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey JWEXHQAEWHKGCW-VCVZPGOSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.32
Topological Polar Surface Area 70.95
Polarizability 40.24
Ring Count 4
Rotatable Bond Count 6

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Glentham Life Sciences
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 152520-56-4 $75.48-$170.34$75.48$170.34
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Struchem co.,ltd
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98% <5 Days 152520-56-4 $1,800.00-$3,080.00$1,800.00$3,080.00$10,500.00
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Molnova Chemicals
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98% <4 Days 152520-56-4 $29.05-$224.73$29.05$38.22$48.16$75.68$126.89$224.73
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