chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone

C8H4ClCoO2 — CID 4212516

IUPACchlorocobalt(2+);[2-(oxomethyl)phenyl]methanone
SMILESCl[Co+2].O=[C-]c1ccccc1[C-]=O
InChIInChI=1S/C8H4O2.ClH.Co/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;1H;/q-2;;+3/p-1
InChIKeyNFSLXVBJTVZNTP-UHFFFAOYSA-M
MW226.50 g/mol
LogP1.29
Rot. Bonds2

About chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone

chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone (PubChem CID 4212516) has the molecular formula C8H4ClCoO2 and a molecular weight of 226.50 g/mol. Its IUPAC name is chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone.

Molecular Properties

Compound Namechlorocobalt(2+);[2-(oxomethyl)phenyl]methanone
PubChem CID4212516
Molecular FormulaC8H4ClCoO2
Molecular Weight226.50 g/mol
Exact Mass225.92
IUPAC Namechlorocobalt(2+);[2-(oxomethyl)phenyl]methanone
SMILESCl[Co+2].O=[C-]c1ccccc1[C-]=O
InChIInChI=1S/C8H4O2.ClH.Co/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;1H;/q-2;;+3/p-1
InChIKeyNFSLXVBJTVZNTP-UHFFFAOYSA-M
XLogP1.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.50
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;cobalt(3+);cyclopentane;[2-(oxomethyl)phenyl]methanone
CID 23229319
2-[2-(oxomethyl)phenyl]propanoyl chloride;yttrium
CID 59904196
phenylmethanone;zirconium
CID 87516869
nickel(2+);2-(oxomethyl)benzenesulfonic acid;phenylmethanone
CID 151750466
potassium;phenylmethanone;sulfanide
CID 170539885
calcium;methane;phenylmethanone
CID 88599134
azepine-2,7-dione
CID 15094758
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum
CID 134991964
chloromethanone;iridium;bis(triphenylphosphane)
CID 87157780
iridium(3+);pyridin-2-ylmethanone
CID 150226288
1H-pyridin-2-one
CID 157260165
(213C)1H-pyridin-2-one
CID 12998482

Frequently Asked Questions

What is the IUPAC name of chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone?
The IUPAC name of chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone (CID 4212516) is chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone.
What is the SMILES notation for chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone?
The canonical SMILES for chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone is Cl[Co+2].O=[C-]c1ccccc1[C-]=O.
What is the InChIKey of chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone?
The InChIKey is NFSLXVBJTVZNTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H4O2.ClH.Co/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;1H;/q-2;;+3/p-1.
What are the key properties of chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone?
chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone has a molecular weight of 226.50 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone is sourced from PubChem (CID 4212516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).