acetylene;carbonobromidic acid

C3H3BrO2 — CID 160881436

IUPACacetylene;carbonobromidic acid
SMILESC#C.O=C(O)Br
InChIInChI=1S/C2H2.CHBrO2/c1-2;2-1(3)4/h1-2H;(H,3,4)
InChIKeySNBSYKVKLHEHFH-UHFFFAOYSA-N
MW150.96 g/mol
LogP1.31
Rot. Bonds

About acetylene;carbonobromidic acid

acetylene;carbonobromidic acid (PubChem CID 160881436) has the molecular formula C3H3BrO2 and a molecular weight of 150.96 g/mol. Its IUPAC name is acetylene;carbonobromidic acid.

Molecular Properties

Compound Nameacetylene;carbonobromidic acid
PubChem CID160881436
Molecular FormulaC3H3BrO2
Molecular Weight150.96 g/mol
Exact Mass149.93
IUPAC Nameacetylene;carbonobromidic acid
SMILESC#C.O=C(O)Br
InChIInChI=1S/C2H2.CHBrO2/c1-2;2-1(3)4/h1-2H;(H,3,4)
InChIKeySNBSYKVKLHEHFH-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.96
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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acetylene;2-hydroxyacetic acid
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CID 173204441
acetylene;propan-2-one
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acetylene;tetrakis(prop-2-enoic acid)
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CID 90004700
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Frequently Asked Questions

What is the IUPAC name of acetylene;carbonobromidic acid?
The IUPAC name of acetylene;carbonobromidic acid (CID 160881436) is acetylene;carbonobromidic acid.
What is the SMILES notation for acetylene;carbonobromidic acid?
The canonical SMILES for acetylene;carbonobromidic acid is C#C.O=C(O)Br.
What is the InChIKey of acetylene;carbonobromidic acid?
The InChIKey is SNBSYKVKLHEHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.CHBrO2/c1-2;2-1(3)4/h1-2H;(H,3,4).
What are the key properties of acetylene;carbonobromidic acid?
acetylene;carbonobromidic acid has a molecular weight of 150.96 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;carbonobromidic acid is sourced from PubChem (CID 160881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).