2-carboxy-5-chlorophenolate

C7H4ClO3- — CID 54706662

IUPAC2-carboxy-5-chlorophenolate
SMILESO=C(O)c1ccc(Cl)cc1[O-]
InChIInChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)/p-1
InChIKeyLWXFCZXRFBUOOR-UHFFFAOYSA-M
MW171.56 g/mol
LogP1.11
Rot. Bonds1

About 2-carboxy-5-chlorophenolate

2-carboxy-5-chlorophenolate (PubChem CID 54706662) has the molecular formula C7H4ClO3- and a molecular weight of 171.56 g/mol. Its IUPAC name is 2-carboxy-5-chlorophenolate.

Molecular Properties

Compound Name2-carboxy-5-chlorophenolate
PubChem CID54706662
Molecular FormulaC7H4ClO3-
Molecular Weight171.56 g/mol
Exact Mass170.99
IUPAC Name2-carboxy-5-chlorophenolate
SMILESO=C(O)c1ccc(Cl)cc1[O-]
InChIInChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)/p-1
InChIKeyLWXFCZXRFBUOOR-UHFFFAOYSA-M
XLogP1.11
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Salicylic Acid
CID 338
Sodium Salicylate
CID 16760658
Salicylate
CID 54675850
3,6-Dichlorosalicylic acid
CID 18844
3,5-Dichlorosalicylic acid
CID 9445
5-Chlorosalicylic Acid
CID 9447
CID 118212070
CID 118212070
Potassium Salicylate
CID 23664627
5-Chloro-salicylaldehyde
CID 12481
Ammonium Salicylate
CID 54697583
5-Iodosalicylic acid
CID 8388
4-Chloro-2'-hydroxychalcone
CID 5372946

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-5-chlorophenolate?
The IUPAC name of 2-carboxy-5-chlorophenolate (CID 54706662) is 2-carboxy-5-chlorophenolate.
What is the SMILES notation for 2-carboxy-5-chlorophenolate?
The canonical SMILES for 2-carboxy-5-chlorophenolate is O=C(O)c1ccc(Cl)cc1[O-].
What is the InChIKey of 2-carboxy-5-chlorophenolate?
The InChIKey is LWXFCZXRFBUOOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)/p-1.
What are the key properties of 2-carboxy-5-chlorophenolate?
2-carboxy-5-chlorophenolate has a molecular weight of 171.56 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-5-chlorophenolate is sourced from PubChem (CID 54706662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).