CID 67925044

C7H3AlBrClNO2 — CID 67925044

IUPAC—
SMILESO=c1[nH]c2cc(Cl)c(Br)cc2o1.[Al]
InChIInChI=1S/C7H3BrClNO2.Al/c8-3-1-6-5(2-4(3)9)10-7(11)12-6;/h1-2H,(H,10,11);
InChIKeyKQDJEFLFJXBMFD-UHFFFAOYSA-N
MW275.45 g/mol
LogP2.16
Rot. Bonds

About CID 67925044

CID 67925044 (PubChem CID 67925044) has the molecular formula C7H3AlBrClNO2 and a molecular weight of 275.45 g/mol.

Molecular Properties

Compound NameCID 67925044
PubChem CID67925044
Molecular FormulaC7H3AlBrClNO2
Molecular Weight275.45 g/mol
Exact Mass273.89
IUPAC Name—
SMILESO=c1[nH]c2cc(Cl)c(Br)cc2o1.[Al]
InChIInChI=1S/C7H3BrClNO2.Al/c8-3-1-6-5(2-4(3)9)10-7(11)12-6;/h1-2H,(H,10,11);
InChIKeyKQDJEFLFJXBMFD-UHFFFAOYSA-N
XLogP2.16
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 67925044?
The IUPAC name of CID 67925044 (CID 67925044) is not available.
What is the SMILES notation for CID 67925044?
The canonical SMILES for CID 67925044 is O=c1[nH]c2cc(Cl)c(Br)cc2o1.[Al].
What is the InChIKey of CID 67925044?
The InChIKey is KQDJEFLFJXBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO2.Al/c8-3-1-6-5(2-4(3)9)10-7(11)12-6;/h1-2H,(H,10,11);.
What are the key properties of CID 67925044?
CID 67925044 has a molecular weight of 275.45 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67925044 is sourced from PubChem (CID 67925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).