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

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

CAS: 1629658-27-0

Formula: C24H19ClFNO4

SMILES: OC(=O)[C@H](CC1=CC=C(Cl)C(F)=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1S/C24H19ClFNO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(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 ABNJHASPCQWVPF-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 114.22
Topological Polar Surface Area 75.63
Polarizability 45.15
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1629658-27-0 $112.32-$517.44$112.32$172.80$517.44
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