benzene;formic acid;dihydrochloride

C14H18Cl2O4 — CID 70483713

IUPACbenzene;formic acid;dihydrochloride
SMILESCl.Cl.O=CO.O=CO.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2CH2O2.2ClH/c2*1-2-4-6-5-3-1;2*2-1-3;;/h2*1-6H;2*1H,(H,2,3);2*1H
InChIKeyGDTQUEOYYAZACJ-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.62
Rot. Bonds

About benzene;formic acid;dihydrochloride

benzene;formic acid;dihydrochloride (PubChem CID 70483713) has the molecular formula C14H18Cl2O4 and a molecular weight of 321.20 g/mol. Its IUPAC name is benzene;formic acid;dihydrochloride.

Molecular Properties

Compound Namebenzene;formic acid;dihydrochloride
PubChem CID70483713
Molecular FormulaC14H18Cl2O4
Molecular Weight321.20 g/mol
Exact Mass320.06
IUPAC Namebenzene;formic acid;dihydrochloride
SMILESCl.Cl.O=CO.O=CO.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2CH2O2.2ClH/c2*1-2-4-6-5-3-1;2*2-1-3;;/h2*1-6H;2*1H,(H,2,3);2*1H
InChIKeyGDTQUEOYYAZACJ-UHFFFAOYSA-N
XLogP3.62
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;formic acid;dihydrochloride?
The IUPAC name of benzene;formic acid;dihydrochloride (CID 70483713) is benzene;formic acid;dihydrochloride.
What is the SMILES notation for benzene;formic acid;dihydrochloride?
The canonical SMILES for benzene;formic acid;dihydrochloride is Cl.Cl.O=CO.O=CO.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;formic acid;dihydrochloride?
The InChIKey is GDTQUEOYYAZACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2CH2O2.2ClH/c2*1-2-4-6-5-3-1;2*2-1-3;;/h2*1-6H;2*1H,(H,2,3);2*1H.
What are the key properties of benzene;formic acid;dihydrochloride?
benzene;formic acid;dihydrochloride has a molecular weight of 321.20 g/mol, XLogP of 3.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formic acid;dihydrochloride is sourced from PubChem (CID 70483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).