(2-chlorophenyl)methylphosphonic acid

C7H8ClO3P — CID 23356121

IUPAC(2-chlorophenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccccc1Cl
InChIInChI=1S/C7H8ClO3P/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyFCMPUUABXHCQAJ-UHFFFAOYSA-N
MW206.56 g/mol
LogP2.02
Rot. Bonds2

About (2-chlorophenyl)methylphosphonic acid

(2-chlorophenyl)methylphosphonic acid (PubChem CID 23356121) has the molecular formula C7H8ClO3P and a molecular weight of 206.56 g/mol. Its IUPAC name is (2-chlorophenyl)methylphosphonic acid.

Molecular Properties

Compound Name(2-chlorophenyl)methylphosphonic acid
PubChem CID23356121
Molecular FormulaC7H8ClO3P
Molecular Weight206.56 g/mol
Exact Mass205.99
IUPAC Name(2-chlorophenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccccc1Cl
InChIInChI=1S/C7H8ClO3P/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyFCMPUUABXHCQAJ-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
[2,3-dihydroxy-4-(phosphonomethyl)phenyl]methylphosphonic acid
CID 102313715
sodium;2-(2-chlorophenyl)acetic acid;hydride
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1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene
CID 12502551
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209
CID 88515237
CID 88515237
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium
CID 151954716
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methylphosphonic acid?
The IUPAC name of (2-chlorophenyl)methylphosphonic acid (CID 23356121) is (2-chlorophenyl)methylphosphonic acid.
What is the SMILES notation for (2-chlorophenyl)methylphosphonic acid?
The canonical SMILES for (2-chlorophenyl)methylphosphonic acid is O=P(O)(O)Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methylphosphonic acid?
The InChIKey is FCMPUUABXHCQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClO3P/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (2-chlorophenyl)methylphosphonic acid?
(2-chlorophenyl)methylphosphonic acid has a molecular weight of 206.56 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methylphosphonic acid is sourced from PubChem (CID 23356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).