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Structure

3,3,3-Trifluoro-dl-alanine hydrochloride

CAS
96105-72-5
Catalog Number
ACM96105725
Category
Amines
Molecular Weight
179.53
Molecular Formula
C3H5ClF3NO2

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Specification

Hazard Statements
H302
Symbol
GHS07
What is the PubChem CID of 3,3,3-Trifluoro-dl-alanine hydrochloride?

PubChem CID is 14205537.

What is the molecular formula of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The molecular formula is C3H5ClF3NO2.

What is the molecular weight of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The molecular weight is 179.52 g/mol.

What is the IUPAC name of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The IUPAC name is 2-amino-3,3,3-trifluoropropanoic acid; hydrochloride.

What is the InChI of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The InChI is InChI=1S/C3H4F3NO2.ClH/c4-3(5,6)1(7)2(8)9;/h1H,7H2,(H,8,9);1H.

What is the InChIKey of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The InChIKey is MRYBJJRPTNOPQK-UHFFFAOYSA-N.

What is the canonical SMILES of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The canonical SMILES is C(C(=O)O)(C(F)(F)F)N.Cl.

What is the CAS number of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The CAS number is 96105-72-5.

What is the hydrogen bond donor count of 3,3,3-Trifluoro-dl-alanine hydrochloride?

The hydrogen bond donor count is 3.

Is 3,3,3-Trifluoro-dl-alanine hydrochloride a canonicalized compound?

Yes, 3,3,3-Trifluoro-dl-alanine hydrochloride is canonicalized.

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