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(2S,4S)-1-(tert-butoxycarbonyl)-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid

CAS: 686766-47-2

Formula: C17H22ClNO5

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)OCC1=CC=C(Cl)C=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C17H22ClNO5/c1-17(2,3)24-16(22)19-9-13(8-14(19)15(20)21)23-10-11-4-6-12(18)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H,20,21)/t13-,14-/m0/s1

Composition: C (57.39%), H (6.23%), Cl (9.96%), N (3.94%), O (22.48%)

Molar Mass: 355.82

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 355.1186505
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QFPYBMQFTDPVGG-KBPBESRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.55
Topological Polar Surface Area 76.07
Polarizability 34.92
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 686766-47-2 $233.28-$517.44$233.28$344.64$517.44
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