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

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

CAS: 1403691-63-3

Formula: C15H19F2NO4

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(O)=O)CC1=CC=CC(F)=C1F

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

InChI: InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-12(19)20)7-9-5-4-6-11(16)13(9)17/h4-6,10H,7-8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1

Composition: C (57.14%), H (6.07%), F (12.05%), N (4.44%), O (20.30%)

Molar Mass: 315.317

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 315.128214422
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OVMNRTGXXYWGCW-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.05
Topological Polar Surface Area 75.63
Polarizability 28.84
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1403691-63-3 $158.40-$492.48$158.40$316.80$492.48
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