4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride

C8H10Cl2O2P- — CID 57361684

IUPAC4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
SMILESCc1ccc(Cl)cc1C.O=PO.[Cl-]
InChIInChI=1S/C8H9Cl.ClH.HO2P/c1-6-3-4-8(9)5-7(6)2;;1-3-2/h3-5H,1-2H3;1H;(H,1,2)/p-1
InChIKeyDVXFCZNMLUMVFV-UHFFFAOYSA-M
MW240.05 g/mol
LogP0.15
Rot. Bonds

About 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride

4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride (PubChem CID 57361684) has the molecular formula C8H10Cl2O2P- and a molecular weight of 240.05 g/mol. Its IUPAC name is 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride.

Molecular Properties

Compound Name4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
PubChem CID57361684
Molecular FormulaC8H10Cl2O2P-
Molecular Weight240.05 g/mol
Exact Mass238.98
IUPAC Name4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
SMILESCc1ccc(Cl)cc1C.O=PO.[Cl-]
InChIInChI=1S/C8H9Cl.ClH.HO2P/c1-6-3-4-8(9)5-7(6)2;;1-3-2/h3-5H,1-2H3;1H;(H,1,2)/p-1
InChIKeyDVXFCZNMLUMVFV-UHFFFAOYSA-M
XLogP0.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
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CID 143759785
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CID 82883226
5-chloro-2-methylbenzenesulfonic acid;hydrochloride
CID 88793134
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 70116493
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CID 91807374
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride?
The IUPAC name of 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride (CID 57361684) is 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride.
What is the SMILES notation for 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride?
The canonical SMILES for 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride is Cc1ccc(Cl)cc1C.O=PO.[Cl-].
What is the InChIKey of 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride?
The InChIKey is DVXFCZNMLUMVFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9Cl.ClH.HO2P/c1-6-3-4-8(9)5-7(6)2;;1-3-2/h3-5H,1-2H3;1H;(H,1,2)/p-1.
What are the key properties of 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride?
4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride has a molecular weight of 240.05 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride is sourced from PubChem (CID 57361684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).