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(2S,4R)-4-[(3,4-dichlorophenyl)methoxy]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[(3,4-dichlorophenyl)methoxy]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

CAS: 1039362-57-6

Formula: C27H23Cl2NO5

SMILES: OC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)OCC1=CC=C(Cl)C(Cl)=C1

IUPAC: (2S,4R)-4-[(3,4-dichlorophenyl)methoxy]-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C27H23Cl2NO5/c28-23-10-9-16(11-24(23)29)14-34-17-12-25(26(31)32)30(13-17)27(33)35-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,17,22,25H,12-15H2,(H,31,32)/t17-,25+/m1/s1

Composition: C (63.29%), H (4.52%), Cl (13.84%), N (2.73%), O (15.61%)

Molar Mass: 512.38

Atom Count: 58

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 511.0953282
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RCPLTLVBEBYXJR-NSYGIPOTSA-N
Lipinski's Rule of Five
Molar Refractivity 132.56
Topological Polar Surface Area 76.07
Polarizability 52.85
Ring Count 5
Rotatable Bond Count 7

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1039362-57-6 $233.28-$517.44$233.28$344.64$517.44
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