1-bromonaphthalene;formic acid

C11H9BrO2 — CID 174427536

IUPAC1-bromonaphthalene;formic acid
SMILESBrc1cccc2ccccc12.O=CO
InChIInChI=1S/C10H7Br.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;1H,(H,2,3)
InChIKeyCJMBEACCKDTENR-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.30
Rot. Bonds

About 1-bromonaphthalene;formic acid

1-bromonaphthalene;formic acid (PubChem CID 174427536) has the molecular formula C11H9BrO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-bromonaphthalene;formic acid.

Molecular Properties

Compound Name1-bromonaphthalene;formic acid
PubChem CID174427536
Molecular FormulaC11H9BrO2
Molecular Weight253.10 g/mol
Exact Mass251.98
IUPAC Name1-bromonaphthalene;formic acid
SMILESBrc1cccc2ccccc12.O=CO
InChIInChI=1S/C10H7Br.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;1H,(H,2,3)
InChIKeyCJMBEACCKDTENR-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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formic acid;naphthalene
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Frequently Asked Questions

What is the IUPAC name of 1-bromonaphthalene;formic acid?
The IUPAC name of 1-bromonaphthalene;formic acid (CID 174427536) is 1-bromonaphthalene;formic acid.
What is the SMILES notation for 1-bromonaphthalene;formic acid?
The canonical SMILES for 1-bromonaphthalene;formic acid is Brc1cccc2ccccc12.O=CO.
What is the InChIKey of 1-bromonaphthalene;formic acid?
The InChIKey is CJMBEACCKDTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;1H,(H,2,3).
What are the key properties of 1-bromonaphthalene;formic acid?
1-bromonaphthalene;formic acid has a molecular weight of 253.10 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonaphthalene;formic acid is sourced from PubChem (CID 174427536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).