2-bromoacetic acid;2-bromobutanoic acid

C6H10Br2O4 — CID 161356058

IUPAC2-bromoacetic acid;2-bromobutanoic acid
SMILESCCC(Br)C(=O)O.O=C(O)CBr
InChIInChI=1S/C4H7BrO2.C2H3BrO2/c1-2-3(5)4(6)7;3-1-2(4)5/h3H,2H2,1H3,(H,6,7);1H2,(H,4,5)
InChIKeyVOOFQMYFEWMMQM-UHFFFAOYSA-N
MW305.95 g/mol
LogP1.71
Rot. Bonds3

About 2-bromoacetic acid;2-bromobutanoic acid

2-bromoacetic acid;2-bromobutanoic acid (PubChem CID 161356058) has the molecular formula C6H10Br2O4 and a molecular weight of 305.95 g/mol. Its IUPAC name is 2-bromoacetic acid;2-bromobutanoic acid.

Molecular Properties

Compound Name2-bromoacetic acid;2-bromobutanoic acid
PubChem CID161356058
Molecular FormulaC6H10Br2O4
Molecular Weight305.95 g/mol
Exact Mass303.89
IUPAC Name2-bromoacetic acid;2-bromobutanoic acid
SMILESCCC(Br)C(=O)O.O=C(O)CBr
InChIInChI=1S/C4H7BrO2.C2H3BrO2/c1-2-3(5)4(6)7;3-1-2(4)5/h3H,2H2,1H3,(H,6,7);1H2,(H,4,5)
InChIKeyVOOFQMYFEWMMQM-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.95
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromoacetic acid;2-bromobutanoic acid?
The IUPAC name of 2-bromoacetic acid;2-bromobutanoic acid (CID 161356058) is 2-bromoacetic acid;2-bromobutanoic acid.
What is the SMILES notation for 2-bromoacetic acid;2-bromobutanoic acid?
The canonical SMILES for 2-bromoacetic acid;2-bromobutanoic acid is CCC(Br)C(=O)O.O=C(O)CBr.
What is the InChIKey of 2-bromoacetic acid;2-bromobutanoic acid?
The InChIKey is VOOFQMYFEWMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO2.C2H3BrO2/c1-2-3(5)4(6)7;3-1-2(4)5/h3H,2H2,1H3,(H,6,7);1H2,(H,4,5).
What are the key properties of 2-bromoacetic acid;2-bromobutanoic acid?
2-bromoacetic acid;2-bromobutanoic acid has a molecular weight of 305.95 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetic acid;2-bromobutanoic acid is sourced from PubChem (CID 161356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).