formyl formate;naphthalene;hydrobromide

C12H11BrO3 — CID 174587967

IUPACformyl formate;naphthalene;hydrobromide
SMILESBr.O=COC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H2O3.BrH/c1-2-6-10-8-4-3-7-9(10)5-1;3-1-5-2-4;/h1-8H;1-2H;1H
InChIKeyMRYIKHUWYFUHJC-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.73
Rot. Bonds2

About formyl formate;naphthalene;hydrobromide

formyl formate;naphthalene;hydrobromide (PubChem CID 174587967) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is formyl formate;naphthalene;hydrobromide.

Molecular Properties

Compound Nameformyl formate;naphthalene;hydrobromide
PubChem CID174587967
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Nameformyl formate;naphthalene;hydrobromide
SMILESBr.O=COC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H2O3.BrH/c1-2-6-10-8-4-3-7-9(10)5-1;3-1-5-2-4;/h1-8H;1-2H;1H
InChIKeyMRYIKHUWYFUHJC-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 174343197

Frequently Asked Questions

What is the IUPAC name of formyl formate;naphthalene;hydrobromide?
The IUPAC name of formyl formate;naphthalene;hydrobromide (CID 174587967) is formyl formate;naphthalene;hydrobromide.
What is the SMILES notation for formyl formate;naphthalene;hydrobromide?
The canonical SMILES for formyl formate;naphthalene;hydrobromide is Br.O=COC=O.c1ccc2ccccc2c1.
What is the InChIKey of formyl formate;naphthalene;hydrobromide?
The InChIKey is MRYIKHUWYFUHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H2O3.BrH/c1-2-6-10-8-4-3-7-9(10)5-1;3-1-5-2-4;/h1-8H;1-2H;1H.
What are the key properties of formyl formate;naphthalene;hydrobromide?
formyl formate;naphthalene;hydrobromide has a molecular weight of 283.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate;naphthalene;hydrobromide is sourced from PubChem (CID 174587967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).