formic acid;naphthalene;hydrochloride

C11H11ClO2 — CID 172855923

IUPACformic acid;naphthalene;hydrochloride
SMILESCl.O=CO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CH2O2.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;2-1-3;/h1-8H;1H,(H,2,3);1H
InChIKeyYRXLFWJJWWEGNS-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.96
Rot. Bonds

About formic acid;naphthalene;hydrochloride

formic acid;naphthalene;hydrochloride (PubChem CID 172855923) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is formic acid;naphthalene;hydrochloride.

Molecular Properties

Compound Nameformic acid;naphthalene;hydrochloride
PubChem CID172855923
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Nameformic acid;naphthalene;hydrochloride
SMILESCl.O=CO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CH2O2.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;2-1-3;/h1-8H;1H,(H,2,3);1H
InChIKeyYRXLFWJJWWEGNS-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of formic acid;naphthalene;hydrochloride?
The IUPAC name of formic acid;naphthalene;hydrochloride (CID 172855923) is formic acid;naphthalene;hydrochloride.
What is the SMILES notation for formic acid;naphthalene;hydrochloride?
The canonical SMILES for formic acid;naphthalene;hydrochloride is Cl.O=CO.c1ccc2ccccc2c1.
What is the InChIKey of formic acid;naphthalene;hydrochloride?
The InChIKey is YRXLFWJJWWEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.CH2O2.ClH/c1-2-6-10-8-4-3-7-9(10)5-1;2-1-3;/h1-8H;1H,(H,2,3);1H.
What are the key properties of formic acid;naphthalene;hydrochloride?
formic acid;naphthalene;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;naphthalene;hydrochloride is sourced from PubChem (CID 172855923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).