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

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

CAS: 1217789-59-7

Formula: C24H19ClFNO4

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

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

InChI: InChI=1S/C24H19ClFNO4/c25-21-12-15(26)10-9-14(21)11-22(23(28)29)27-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20,22H,11,13H2,(H,27,30)(H,28,29)/t22-/m0/s1

Composition: C (65.53%), H (4.35%), Cl (8.06%), F (4.32%), N (3.18%), O (14.55%)

Molar Mass: 439.87

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 439.098664
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SPOFFSUHDCOUGW-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 114.22
Topological Polar Surface Area 75.63
Polarizability 45.13
Ring Count 4
Rotatable Bond Count 7

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1217789-59-7 $101.76-$1,429.44$101.76$357.12$1,429.44
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