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Structure

-Pyrrolidine,3-bromo-,(S)-

CAS
99520-93-1
Catalog Number
ACM99520931
Category
Heterocyclic Organic Compound
Molecular Weight
150.01702
Molecular Formula
C4H8BrN

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Specification

Synonyms
-Pyrrolidine,3-bromo-,(S)-;Pyrrolidine, 3-bromo-, (S)- (9CI)
What is the molecular formula of the compound?

The molecular formula of the compound is C4H8BrN.

What is the molecular weight of the compound?

The molecular weight of the compound is 150.02 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3S)-3-bromopyrrolidine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C4H8BrN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is UKYCQJXBNJJMDX-BYPYZUCNSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CNCC1Br.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C1CNC[C@H]1Br.

What is the CAS number of the compound?

The CAS number of the compound is 99520-93-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.8.

Is the compound a canonicalized compound?

Yes, the compound is canonicalized.

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