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(2S)-3-(2-chloro-4-hydroxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(2-chloro-4-hydroxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 2349740-74-3

Formula: C24H20ClNO5

SMILES: OC(=O)[C@H](CC1=CC=C(O)C=C1Cl)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-3-(2-chloro-4-hydroxyphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H20ClNO5/c25-21-12-15(27)10-9-14(21)11-22(23(28)29)26-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20,22,27H,11,13H2,(H,26,30)(H,28,29)/t22-/m0/s1

Composition: C (65.83%), H (4.60%), Cl (8.10%), N (3.20%), O (18.27%)

Molar Mass: 437.88

Atom Count: 51

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 437.1030004
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey JBVALNDOZYTSJL-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 115.98
Topological Polar Surface Area 95.86
Polarizability 46.07
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2349740-74-3 $240.96-$551.04$240.96$361.92$551.04
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