(3-bromobenzene-5-id-1-yl)methanol;cobalt

C7H6BrCoO- — CID 177134279

IUPAC(3-bromobenzene-5-id-1-yl)methanol;cobalt
SMILESOCc1c[c-]cc(Br)c1.[Co]
InChIInChI=1S/C7H6BrO.Co/c8-7-3-1-2-6(4-7)5-9;/h2-4,9H,5H2;/q-1;
InChIKeyBUKQGBQMHBQHIU-UHFFFAOYSA-N
MW244.96 g/mol
LogP1.74
Rot. Bonds1

About (3-bromobenzene-5-id-1-yl)methanol;cobalt

(3-bromobenzene-5-id-1-yl)methanol;cobalt (PubChem CID 177134279) has the molecular formula C7H6BrCoO- and a molecular weight of 244.96 g/mol. Its IUPAC name is (3-bromobenzene-5-id-1-yl)methanol;cobalt.

Molecular Properties

Compound Name(3-bromobenzene-5-id-1-yl)methanol;cobalt
PubChem CID177134279
Molecular FormulaC7H6BrCoO-
Molecular Weight244.96 g/mol
Exact Mass243.89
IUPAC Name(3-bromobenzene-5-id-1-yl)methanol;cobalt
SMILESOCc1c[c-]cc(Br)c1.[Co]
InChIInChI=1S/C7H6BrO.Co/c8-7-3-1-2-6(4-7)5-9;/h2-4,9H,5H2;/q-1;
InChIKeyBUKQGBQMHBQHIU-UHFFFAOYSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.96
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromobenzene-5-id-1-yl)methanol;cobalt?
The IUPAC name of (3-bromobenzene-5-id-1-yl)methanol;cobalt (CID 177134279) is (3-bromobenzene-5-id-1-yl)methanol;cobalt.
What is the SMILES notation for (3-bromobenzene-5-id-1-yl)methanol;cobalt?
The canonical SMILES for (3-bromobenzene-5-id-1-yl)methanol;cobalt is OCc1c[c-]cc(Br)c1.[Co].
What is the InChIKey of (3-bromobenzene-5-id-1-yl)methanol;cobalt?
The InChIKey is BUKQGBQMHBQHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrO.Co/c8-7-3-1-2-6(4-7)5-9;/h2-4,9H,5H2;/q-1;.
What are the key properties of (3-bromobenzene-5-id-1-yl)methanol;cobalt?
(3-bromobenzene-5-id-1-yl)methanol;cobalt has a molecular weight of 244.96 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromobenzene-5-id-1-yl)methanol;cobalt is sourced from PubChem (CID 177134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).