2H-chromene;chromium(3+);trichloride;hydrate

C9H10Cl3CrO2 — CID 174619149

IUPAC2H-chromene;chromium(3+);trichloride;hydrate
SMILESC1=Cc2ccccc2OC1.O.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C9H8O.3ClH.Cr.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-6H,7H2;3*1H;;1H2/q;;;;+3;/p-3
InChIKeyTYUWADJIQUCRTQ-UHFFFAOYSA-K
MW308.53 g/mol
LogP-7.72
Rot. Bonds

About 2H-chromene;chromium(3+);trichloride;hydrate

2H-chromene;chromium(3+);trichloride;hydrate (PubChem CID 174619149) has the molecular formula C9H10Cl3CrO2 and a molecular weight of 308.53 g/mol. Its IUPAC name is 2H-chromene;chromium(3+);trichloride;hydrate.

Molecular Properties

Compound Name2H-chromene;chromium(3+);trichloride;hydrate
PubChem CID174619149
Molecular FormulaC9H10Cl3CrO2
Molecular Weight308.53 g/mol
Exact Mass306.92
IUPAC Name2H-chromene;chromium(3+);trichloride;hydrate
SMILESC1=Cc2ccccc2OC1.O.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C9H8O.3ClH.Cr.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-6H,7H2;3*1H;;1H2/q;;;;+3;/p-3
InChIKeyTYUWADJIQUCRTQ-UHFFFAOYSA-K
XLogP-7.72
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 5-7.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;chromium(3+);trichloride;hydrate?
The IUPAC name of 2H-chromene;chromium(3+);trichloride;hydrate (CID 174619149) is 2H-chromene;chromium(3+);trichloride;hydrate.
What is the SMILES notation for 2H-chromene;chromium(3+);trichloride;hydrate?
The canonical SMILES for 2H-chromene;chromium(3+);trichloride;hydrate is C1=Cc2ccccc2OC1.O.[Cl-].[Cl-].[Cl-].[Cr+3].
What is the InChIKey of 2H-chromene;chromium(3+);trichloride;hydrate?
The InChIKey is TYUWADJIQUCRTQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H8O.3ClH.Cr.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-6H,7H2;3*1H;;1H2/q;;;;+3;/p-3.
What are the key properties of 2H-chromene;chromium(3+);trichloride;hydrate?
2H-chromene;chromium(3+);trichloride;hydrate has a molecular weight of 308.53 g/mol, XLogP of -7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;chromium(3+);trichloride;hydrate is sourced from PubChem (CID 174619149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).