2-bromoacetic acid;phosphane

C2H6BrO2P — CID 158895914

IUPAC2-bromoacetic acid;phosphane
SMILESO=C(O)CBr.P
InChIInChI=1S/C2H3BrO2.H3P/c3-1-2(4)5;/h1H2,(H,4,5);1H3
InChIKeyJEVFBALONZQTRW-UHFFFAOYSA-N
MW172.95 g/mol
LogP0.52
Rot. Bonds1

About 2-bromoacetic acid;phosphane

2-bromoacetic acid;phosphane (PubChem CID 158895914) has the molecular formula C2H6BrO2P and a molecular weight of 172.95 g/mol. Its IUPAC name is 2-bromoacetic acid;phosphane.

Molecular Properties

Compound Name2-bromoacetic acid;phosphane
PubChem CID158895914
Molecular FormulaC2H6BrO2P
Molecular Weight172.95 g/mol
Exact Mass171.93
IUPAC Name2-bromoacetic acid;phosphane
SMILESO=C(O)CBr.P
InChIInChI=1S/C2H3BrO2.H3P/c3-1-2(4)5;/h1H2,(H,4,5);1H3
InChIKeyJEVFBALONZQTRW-UHFFFAOYSA-N
XLogP0.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.95
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromoacetic acid;copper
CID 174520867
sodium;2-bromoacetic acid;hydride
CID 174313027
potassium;2-bromoacetic acid;hydride
CID 174303508
2-bromoacetic acid;diiminoazanium
CID 174970597
2-bromoacetic acid;2-iodoacetic acid
CID 87504398
lithium;2-bromoacetic acid;2-methylpropane
CID 158159947
2-bromoacetic acid;hexane-1,6-diol
CID 175210517
2-bromoacetic acid;2-bromobutanoic acid
CID 161356058
3-bromo-2-oxo(113C)propanoic acid
CID 71309298
2-bromoacetic acid;undecan-1-ol
CID 175205169
3-bromopropanoic acid;methane
CID 87431131
3-bromopropanoic acid;hydrobromide
CID 141443464

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetic acid;phosphane?
The IUPAC name of 2-bromoacetic acid;phosphane (CID 158895914) is 2-bromoacetic acid;phosphane.
What is the SMILES notation for 2-bromoacetic acid;phosphane?
The canonical SMILES for 2-bromoacetic acid;phosphane is O=C(O)CBr.P.
What is the InChIKey of 2-bromoacetic acid;phosphane?
The InChIKey is JEVFBALONZQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrO2.H3P/c3-1-2(4)5;/h1H2,(H,4,5);1H3.
What are the key properties of 2-bromoacetic acid;phosphane?
2-bromoacetic acid;phosphane has a molecular weight of 172.95 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetic acid;phosphane is sourced from PubChem (CID 158895914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).