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(2S,4S)-1-(tert-butoxycarbonyl)-4-chloropyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-chloropyrrolidine-2-carboxylic acid

CAS: 183108-16-9

Formula: C10H16ClNO4

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

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

InChI: InChI=1S/C10H16ClNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1

Composition: C (48.10%), H (6.46%), Cl (14.20%), N (5.61%), O (25.63%)

Molar Mass: 249.69

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 249.0767857
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KTIQMTDKFOWAFE-BQBZGAKWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.43
Topological Polar Surface Area 66.84
Polarizability 22.84
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 183108-16-9 $201.25-$1,828.50$201.25$286.35$457.70$1,828.50
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