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1-(tert-butoxycarbonyl)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

1-(tert-butoxycarbonyl)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Formula: C17H21Cl2NO4

SMILES: CC(C)(C)OC(=O)N1CCCC1(CC1=CC(Cl)=C(Cl)C=C1)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1/C17H21Cl2NO4/c1-16(2,3)24-15(23)20-8-4-7-17(20,14(21)22)10-11-5-6-12(18)13(19)9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22)

Composition: C (54.56%), H (5.66%), Cl (18.94%), N (3.74%), O (17.10%)

Molar Mass: 374.26

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 373.0847636
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WSEOQKALYMEIPL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92
Topological Polar Surface Area 66.84
Polarizability 36.15
Ring Count 2
Rotatable Bond Count 5

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98% <10 Days C17H21Cl2NO4 Quote Only
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