CID 70628268

C8H9AlClO — CID 70628268

IUPAC—
SMILESCCc1ccccc1OCl.[Al]
InChIInChI=1S/C8H9ClO.Al/c1-2-7-5-3-4-6-8(7)10-9;/h3-6H,2H2,1H3;
InChIKeyKCLXJJLQFPOHOO-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.40
Rot. Bonds2

About CID 70628268

CID 70628268 (PubChem CID 70628268) has the molecular formula C8H9AlClO and a molecular weight of 183.59 g/mol.

Molecular Properties

Compound NameCID 70628268
PubChem CID70628268
Molecular FormulaC8H9AlClO
Molecular Weight183.59 g/mol
Exact Mass183.02
IUPAC Name—
SMILESCCc1ccccc1OCl.[Al]
InChIInChI=1S/C8H9ClO.Al/c1-2-7-5-3-4-6-8(7)10-9;/h3-6H,2H2,1H3;
InChIKeyKCLXJJLQFPOHOO-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 70628268?
The IUPAC name of CID 70628268 (CID 70628268) is not available.
What is the SMILES notation for CID 70628268?
The canonical SMILES for CID 70628268 is CCc1ccccc1OCl.[Al].
What is the InChIKey of CID 70628268?
The InChIKey is KCLXJJLQFPOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.Al/c1-2-7-5-3-4-6-8(7)10-9;/h3-6H,2H2,1H3;.
What are the key properties of CID 70628268?
CID 70628268 has a molecular weight of 183.59 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70628268 is sourced from PubChem (CID 70628268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).