chlorophosphonous acid;toluene

C7H10ClO2P — CID 87453176

IUPACchlorophosphonous acid;toluene
SMILESCc1ccccc1.OP(O)Cl
InChIInChI=1S/C7H8.ClH2O2P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;2-3H
InChIKeyCJUUFCPKURMJQO-UHFFFAOYSA-N
MW192.58 g/mol
LogP2.43
Rot. Bonds

About chlorophosphonous acid;toluene

chlorophosphonous acid;toluene (PubChem CID 87453176) has the molecular formula C7H10ClO2P and a molecular weight of 192.58 g/mol. Its IUPAC name is chlorophosphonous acid;toluene.

Molecular Properties

Compound Namechlorophosphonous acid;toluene
PubChem CID87453176
Molecular FormulaC7H10ClO2P
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Namechlorophosphonous acid;toluene
SMILESCc1ccccc1.OP(O)Cl
InChIInChI=1S/C7H8.ClH2O2P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;2-3H
InChIKeyCJUUFCPKURMJQO-UHFFFAOYSA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;toluene
CID 178022822
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
methanol;titanium;toluene
CID 160815635
chloromethane;toluene;dihydrochloride
CID 174689155
hydroxysilane;toluene
CID 174524422
ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177
toluene;dihydrochloride
CID 66712893
toluene;tetrahydrochloride
CID 174345064
iridium;toluene
CID 160574470

Frequently Asked Questions

What is the IUPAC name of chlorophosphonous acid;toluene?
The IUPAC name of chlorophosphonous acid;toluene (CID 87453176) is chlorophosphonous acid;toluene.
What is the SMILES notation for chlorophosphonous acid;toluene?
The canonical SMILES for chlorophosphonous acid;toluene is Cc1ccccc1.OP(O)Cl.
What is the InChIKey of chlorophosphonous acid;toluene?
The InChIKey is CJUUFCPKURMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.ClH2O2P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;2-3H.
What are the key properties of chlorophosphonous acid;toluene?
chlorophosphonous acid;toluene has a molecular weight of 192.58 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorophosphonous acid;toluene is sourced from PubChem (CID 87453176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).