benzene;hexakis(carbonochloridic acid)

C12H12Cl6O12 — CID 23163830

IUPACbenzene;hexakis(carbonochloridic acid)
SMILESO=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.c1ccccc1
InChIInChI=1S/C6H6.6CHClO2/c1-2-4-6-5-3-1;6*2-1(3)4/h1-6H;6*(H,3,4)
InChIKeyAVUBQFSKKPEEFC-UHFFFAOYSA-N
MW560.93 g/mol
LogP7.11
Rot. Bonds

About benzene;hexakis(carbonochloridic acid)

benzene;hexakis(carbonochloridic acid) (PubChem CID 23163830) has the molecular formula C12H12Cl6O12 and a molecular weight of 560.93 g/mol. Its IUPAC name is benzene;hexakis(carbonochloridic acid).

Molecular Properties

Compound Namebenzene;hexakis(carbonochloridic acid)
PubChem CID23163830
Molecular FormulaC12H12Cl6O12
Molecular Weight560.93 g/mol
Exact Mass557.85
IUPAC Namebenzene;hexakis(carbonochloridic acid)
SMILESO=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.c1ccccc1
InChIInChI=1S/C6H6.6CHClO2/c1-2-4-6-5-3-1;6*2-1(3)4/h1-6H;6*(H,3,4)
InChIKeyAVUBQFSKKPEEFC-UHFFFAOYSA-N
XLogP7.11
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500560.93
LogP ≤ 57.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;hexakis(carbonochloridic acid)?
The IUPAC name of benzene;hexakis(carbonochloridic acid) (CID 23163830) is benzene;hexakis(carbonochloridic acid).
What is the SMILES notation for benzene;hexakis(carbonochloridic acid)?
The canonical SMILES for benzene;hexakis(carbonochloridic acid) is O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.c1ccccc1.
What is the InChIKey of benzene;hexakis(carbonochloridic acid)?
The InChIKey is AVUBQFSKKPEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.6CHClO2/c1-2-4-6-5-3-1;6*2-1(3)4/h1-6H;6*(H,3,4).
What are the key properties of benzene;hexakis(carbonochloridic acid)?
benzene;hexakis(carbonochloridic acid) has a molecular weight of 560.93 g/mol, XLogP of 7.11, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexakis(carbonochloridic acid) is sourced from PubChem (CID 23163830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).