2-chlorobenzoyl chloride;phosphoric acid

C7H7Cl2O5P — CID 174968517

IUPAC2-chlorobenzoyl chloride;phosphoric acid
SMILESO=C(Cl)c1ccccc1Cl.O=P(O)(O)O
InChIInChI=1S/C7H4Cl2O.H3O4P/c8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h1-4H;(H3,1,2,3,4)
InChIKeyIGBOBHIBQMWSKS-UHFFFAOYSA-N
MW273.01 g/mol
LogP1.79
Rot. Bonds1

About 2-chlorobenzoyl chloride;phosphoric acid

2-chlorobenzoyl chloride;phosphoric acid (PubChem CID 174968517) has the molecular formula C7H7Cl2O5P and a molecular weight of 273.01 g/mol. Its IUPAC name is 2-chlorobenzoyl chloride;phosphoric acid.

Molecular Properties

Compound Name2-chlorobenzoyl chloride;phosphoric acid
PubChem CID174968517
Molecular FormulaC7H7Cl2O5P
Molecular Weight273.01 g/mol
Exact Mass271.94
IUPAC Name2-chlorobenzoyl chloride;phosphoric acid
SMILESO=C(Cl)c1ccccc1Cl.O=P(O)(O)O
InChIInChI=1S/C7H4Cl2O.H3O4P/c8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h1-4H;(H3,1,2,3,4)
InChIKeyIGBOBHIBQMWSKS-UHFFFAOYSA-N
XLogP1.79
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.01
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoyl chloride;phosphoric acid?
The IUPAC name of 2-chlorobenzoyl chloride;phosphoric acid (CID 174968517) is 2-chlorobenzoyl chloride;phosphoric acid.
What is the SMILES notation for 2-chlorobenzoyl chloride;phosphoric acid?
The canonical SMILES for 2-chlorobenzoyl chloride;phosphoric acid is O=C(Cl)c1ccccc1Cl.O=P(O)(O)O.
What is the InChIKey of 2-chlorobenzoyl chloride;phosphoric acid?
The InChIKey is IGBOBHIBQMWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O.H3O4P/c8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h1-4H;(H3,1,2,3,4).
What are the key properties of 2-chlorobenzoyl chloride;phosphoric acid?
2-chlorobenzoyl chloride;phosphoric acid has a molecular weight of 273.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoyl chloride;phosphoric acid is sourced from PubChem (CID 174968517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).