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(3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4-dichlorophenyl)butanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4-dichlorophenyl)butanoic acid

CAS: 269396-53-4

Formula: C15H19Cl2NO4

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(O)=O)CC1=CC=C(Cl)C=C1Cl

IUPAC: (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2,4-dichlorophenyl)butanoic acid

InChI: InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m1/s1

Composition: C (51.74%), H (5.50%), Cl (20.36%), N (4.02%), O (18.38%)

Molar Mass: 348.22

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 347.0691135
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HGGWEUIYPYFHNX-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.22
Topological Polar Surface Area 75.63
Polarizability 33.18
Ring Count 1
Rotatable Bond Count 7

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99.1% <7 Days 269396-53-4 $8.42-$69.19$8.42$19.64$69.19
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95% <5 Days 269396-53-4 $73.14$73.14
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