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(2R)-3-(2,4-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2R)-3-(2,4-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 352351-61-2

Formula: C24H19Cl2NO4

SMILES: OC(=O)[C@@H](CC1=CC=C(Cl)C=C1Cl)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2R)-3-(2,4-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H19Cl2NO4/c25-15-10-9-14(21(26)12-15)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-/m1/s1

Composition: C (63.17%), H (4.20%), Cl (15.54%), N (3.07%), O (14.02%)

Molar Mass: 456.32

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 455.0691135
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PGIMVGROPOKRNA-JOCHJYFZSA-N
Lipinski's Rule of Five
Molar Refractivity 118.81
Topological Polar Surface Area 75.63
Polarizability 47.33
Ring Count 4
Rotatable Bond Count 7

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