structure of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid

CAS No.: 1001179-54-9
M. Wt: 360.23200
M. Fa: C16H19Cl2NO4
InChI Key: YAFUFMBNEFTUBN-WDEREUQCSA-N

Names and Identifiers of 1001179-54-9

CAS Number

1001179-54-9

IUPAC Name

(3S,4R)-4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI

InChI=1S/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-10(11(8-19)14(20)21)9-4-5-12(17)13(18)6-9/h4-6,10-11H,7-8H2,1-3H3,(H,20,21)/t10-,11+/m0/s1

InChIKey

YAFUFMBNEFTUBN-WDEREUQCSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl

Physical and chemical properties of 1001179-54-9

Exact Mass

359.06900

LogP

3.96640

Molecular Formula

C16H19Cl2NO4

Molecular Weight

360.23200

PSA

66.84000

Safety Information of 1001179-54-9

Pictograms

Signal Word

Warning

Safety Data Sheet

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