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(2S)-4-(2,6-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S)-4-(2,6-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 1260614-95-6

Formula: C25H21Cl2NO4

SMILES: OC(=O)[C@H](CCC1=C(Cl)C=CC=C1Cl)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-4-(2,6-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H21Cl2NO4/c26-21-10-5-11-22(27)19(21)12-13-23(24(29)30)28-25(31)32-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-11,20,23H,12-14H2,(H,28,31)(H,29,30)/t23-/m0/s1

Composition: C (63.84%), H (4.50%), Cl (15.07%), N (2.98%), O (13.61%)

Molar Mass: 470.35

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 469.0847636
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RDVBAXARMUEXAG-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 123.41
Topological Polar Surface Area 75.63
Polarizability 49.17
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260614-95-6 $311.04-$723.84$311.04$482.88$723.84
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