Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid

CAS

939757-97-8

Catalog Number

ACM939757978

Category

Other Products

Molecular Weight

370.238300 [g/mol]

Molecular Formula

C16H20BrNO4

MSDS COA Spec Sheet

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Specification

Synonyms

939757-97-8, 4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, AGN-PC-00VA7H, SureCN7890064, Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid, AKOS015841216, A844759, Boc-(trans-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid, 4-(4-Bromo-phenyl)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid

IUPAC Name

4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Canonical SMILES

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

InChI Key

MXJJJGPIDKFWKX-UHFFFAOYSA-N

Boiling Point

478.5ºC at 760 mmHg

Flash Point

243.2ºC

Density

1.426g/cm³

Exact Mass

369.05800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The molecular formula of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is C16H20BrNO4.

What is the synonym for Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The synonym for Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is BOC-(+/-)-TRANS-4-(4-BROMO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID.

What is the molecular weight of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The molecular weight of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is 370.24 g/mol.

What is the IUPAC name of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The IUPAC name of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is (3S,4R)-4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

What is the InChI of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The InChI of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is InChI=1S/C16H20BrNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1.

What is the InChIKey of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The InChIKey of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is MXJJJGPIDKFWKX-QWHCGFSZSA-N.

What is the Canonical SMILES of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The Canonical SMILES of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)Br.

How many hydrogen bond donor counts are there in Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

There is 1 hydrogen bond donor count in Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid.

What is the topological polar surface area of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?

The topological polar surface area of Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is 66.8 ?^2.

Is Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid a canonicalized compound?

Yes, Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is a canonicalized compound.