1,4-dichlorobenzene;phosphoric acid

C6H7Cl2O4P — CID 175035024

IUPAC1,4-dichlorobenzene;phosphoric acid
SMILESClc1ccc(Cl)cc1.O=P(O)(O)O
InChIInChI=1S/C6H4Cl2.H3O4P/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4)
InChIKeyRNLMDYVIONLEAQ-UHFFFAOYSA-N
MW245.00 g/mol
LogP2.06
Rot. Bonds

About 1,4-dichlorobenzene;phosphoric acid

1,4-dichlorobenzene;phosphoric acid (PubChem CID 175035024) has the molecular formula C6H7Cl2O4P and a molecular weight of 245.00 g/mol. Its IUPAC name is 1,4-dichlorobenzene;phosphoric acid.

Molecular Properties

Compound Name1,4-dichlorobenzene;phosphoric acid
PubChem CID175035024
Molecular FormulaC6H7Cl2O4P
Molecular Weight245.00 g/mol
Exact Mass243.95
IUPAC Name1,4-dichlorobenzene;phosphoric acid
SMILESClc1ccc(Cl)cc1.O=P(O)(O)O
InChIInChI=1S/C6H4Cl2.H3O4P/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4)
InChIKeyRNLMDYVIONLEAQ-UHFFFAOYSA-N
XLogP2.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.00
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-chlorophenyl)sulfanyl]phosphinic acid
CID 11142675
bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
CID 70448717
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
azane;1,4-dichlorobenzene
CID 69330361
[2-(4-chlorophenyl)-2-oxoethyl]phosphonic acid
CID 70418776
[(4-chlorophenyl)sulfanyl-phosphono(114C)methyl]phosphonic acid
CID 10663531
(4-chlorophenyl)sulfanylmethylphosphonic acid
CID 86131066
chlorobenzene;chloro dihydrogen phosphate
CID 67722958
(4-chlorophenyl)-propylphosphinic acid
CID 66861527
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid
CID 67640023

Frequently Asked Questions

What is the IUPAC name of 1,4-dichlorobenzene;phosphoric acid?
The IUPAC name of 1,4-dichlorobenzene;phosphoric acid (CID 175035024) is 1,4-dichlorobenzene;phosphoric acid.
What is the SMILES notation for 1,4-dichlorobenzene;phosphoric acid?
The canonical SMILES for 1,4-dichlorobenzene;phosphoric acid is Clc1ccc(Cl)cc1.O=P(O)(O)O.
What is the InChIKey of 1,4-dichlorobenzene;phosphoric acid?
The InChIKey is RNLMDYVIONLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.H3O4P/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4).
What are the key properties of 1,4-dichlorobenzene;phosphoric acid?
1,4-dichlorobenzene;phosphoric acid has a molecular weight of 245.00 g/mol, XLogP of 2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorobenzene;phosphoric acid is sourced from PubChem (CID 175035024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).