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(2S)-3-(2-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(2-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 198560-41-7

Formula: C24H20ClNO4

SMILES: OC(=O)[C@H](CC1=C(Cl)C=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(2-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H20ClNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

Composition: C (68.33%), H (4.78%), Cl (8.40%), N (3.32%), O (15.17%)

Molar Mass: 421.88

Atom Count: 50

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 421.1080858
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RNNKPNPLIMFSDY-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 114
Topological Polar Surface Area 75.63
Polarizability 45.45
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 198560-41-7 $7.25-$648.95$7.25$13.46$47.61$93.15$164.57$648.95
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 198560-41-7 $480.00$480.00
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