carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)

C10H7ClCrO3+6 — CID 11986165

IUPACcarbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
SMILESCc1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6]
InChIInChI=1S/C7H7Cl.3CO.Cr/c1-6-2-4-7(8)5-3-6;3*1-2;/h2-5H,1H3;;;;/q;;;;+6
InChIKeyGCKMTHAGYMCGLE-UHFFFAOYSA-N
MW262.61 g/mol
LogP2.53
Rot. Bonds

About carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)

carbon monoxide;1-chloro-4-methylbenzene;chromium(6+) (PubChem CID 11986165) has the molecular formula C10H7ClCrO3+6 and a molecular weight of 262.61 g/mol. Its IUPAC name is carbon monoxide;1-chloro-4-methylbenzene;chromium(6+).

Molecular Properties

Compound Namecarbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
PubChem CID11986165
Molecular FormulaC10H7ClCrO3+6
Molecular Weight262.61 g/mol
Exact Mass261.95
IUPAC Namecarbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
SMILESCc1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6]
InChIInChI=1S/C7H7Cl.3CO.Cr/c1-6-2-4-7(8)5-3-6;3*1-2;/h2-5H,1H3;;;;/q;;;;+6
InChIKeyGCKMTHAGYMCGLE-UHFFFAOYSA-N
XLogP2.53
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.61
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 174694335
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CID 158103199
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
1-chloro-4-methylbenzene;pentane
CID 142041532
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 14985084
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CID 81355634

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)?
The IUPAC name of carbon monoxide;1-chloro-4-methylbenzene;chromium(6+) (CID 11986165) is carbon monoxide;1-chloro-4-methylbenzene;chromium(6+).
What is the SMILES notation for carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)?
The canonical SMILES for carbon monoxide;1-chloro-4-methylbenzene;chromium(6+) is Cc1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6].
What is the InChIKey of carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)?
The InChIKey is GCKMTHAGYMCGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.3CO.Cr/c1-6-2-4-7(8)5-3-6;3*1-2;/h2-5H,1H3;;;;/q;;;;+6.
What are the key properties of carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)?
carbon monoxide;1-chloro-4-methylbenzene;chromium(6+) has a molecular weight of 262.61 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-chloro-4-methylbenzene;chromium(6+) is sourced from PubChem (CID 11986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).