acetic acid;trihydrobromide

C2H7Br3O2 — CID 172754955

IUPACacetic acid;trihydrobromide
SMILESBr.Br.Br.CC(=O)O
InChIInChI=1S/C2H4O2.3BrH/c1-2(3)4;;;/h1H3,(H,3,4);3*1H
InChIKeyKWVLRIWFXXTUNP-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.82
Rot. Bonds

About acetic acid;trihydrobromide

acetic acid;trihydrobromide (PubChem CID 172754955) has the molecular formula C2H7Br3O2 and a molecular weight of 302.79 g/mol. Its IUPAC name is acetic acid;trihydrobromide.

Molecular Properties

Compound Nameacetic acid;trihydrobromide
PubChem CID172754955
Molecular FormulaC2H7Br3O2
Molecular Weight302.79 g/mol
Exact Mass299.80
IUPAC Nameacetic acid;trihydrobromide
SMILESBr.Br.Br.CC(=O)O
InChIInChI=1S/C2H4O2.3BrH/c1-2(3)4;;;/h1H3,(H,3,4);3*1H
InChIKeyKWVLRIWFXXTUNP-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;trihydrobromide?
The IUPAC name of acetic acid;trihydrobromide (CID 172754955) is acetic acid;trihydrobromide.
What is the SMILES notation for acetic acid;trihydrobromide?
The canonical SMILES for acetic acid;trihydrobromide is Br.Br.Br.CC(=O)O.
What is the InChIKey of acetic acid;trihydrobromide?
The InChIKey is KWVLRIWFXXTUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.3BrH/c1-2(3)4;;;/h1H3,(H,3,4);3*1H.
What are the key properties of acetic acid;trihydrobromide?
acetic acid;trihydrobromide has a molecular weight of 302.79 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trihydrobromide is sourced from PubChem (CID 172754955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).