carbamic acid;carbonyl dibromide

C2H3Br2NO3 — CID 161235420

IUPACcarbamic acid;carbonyl dibromide
SMILESNC(=O)O.O=C(Br)Br
InChIInChI=1S/CBr2O.CH3NO2/c2*2-1(3)4/h;2H2,(H,3,4)
InChIKeyUZHLSSQGWYUCEL-UHFFFAOYSA-N
MW248.86 g/mol
LogP1.52
Rot. Bonds

About carbamic acid;carbonyl dibromide

carbamic acid;carbonyl dibromide (PubChem CID 161235420) has the molecular formula C2H3Br2NO3 and a molecular weight of 248.86 g/mol. Its IUPAC name is carbamic acid;carbonyl dibromide.

Molecular Properties

Compound Namecarbamic acid;carbonyl dibromide
PubChem CID161235420
Molecular FormulaC2H3Br2NO3
Molecular Weight248.86 g/mol
Exact Mass246.85
IUPAC Namecarbamic acid;carbonyl dibromide
SMILESNC(=O)O.O=C(Br)Br
InChIInChI=1S/CBr2O.CH3NO2/c2*2-1(3)4/h;2H2,(H,3,4)
InChIKeyUZHLSSQGWYUCEL-UHFFFAOYSA-N
XLogP1.52
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.86
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;carbonyl dibromide?
The IUPAC name of carbamic acid;carbonyl dibromide (CID 161235420) is carbamic acid;carbonyl dibromide.
What is the SMILES notation for carbamic acid;carbonyl dibromide?
The canonical SMILES for carbamic acid;carbonyl dibromide is NC(=O)O.O=C(Br)Br.
What is the InChIKey of carbamic acid;carbonyl dibromide?
The InChIKey is UZHLSSQGWYUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/CBr2O.CH3NO2/c2*2-1(3)4/h;2H2,(H,3,4).
What are the key properties of carbamic acid;carbonyl dibromide?
carbamic acid;carbonyl dibromide has a molecular weight of 248.86 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;carbonyl dibromide is sourced from PubChem (CID 161235420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).