2-hydroxybenzoic acid;hypochlorous acid

C7H7ClO4 — CID 68579561

IUPAC2-hydroxybenzoic acid;hypochlorous acid
SMILESO=C(O)c1ccccc1O.OCl
InChIInChI=1S/C7H6O3.ClHO/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H,(H,9,10);2H
InChIKeyNTBCKHYJDZJCIN-UHFFFAOYSA-N
MW190.58 g/mol
LogP1.22
Rot. Bonds1

About 2-hydroxybenzoic acid;hypochlorous acid

2-hydroxybenzoic acid;hypochlorous acid (PubChem CID 68579561) has the molecular formula C7H7ClO4 and a molecular weight of 190.58 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;hypochlorous acid.

Molecular Properties

Compound Name2-hydroxybenzoic acid;hypochlorous acid
PubChem CID68579561
Molecular FormulaC7H7ClO4
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name2-hydroxybenzoic acid;hypochlorous acid
SMILESO=C(O)c1ccccc1O.OCl
InChIInChI=1S/C7H6O3.ClHO/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H,(H,9,10);2H
InChIKeyNTBCKHYJDZJCIN-UHFFFAOYSA-N
XLogP1.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

chlorophosphane;2-hydroxybenzoic acid
CID 145286030
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
azanide;2-hydroxybenzoic acid;platinum(2+)
CID 59733827
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;hypochlorous acid?
The IUPAC name of 2-hydroxybenzoic acid;hypochlorous acid (CID 68579561) is 2-hydroxybenzoic acid;hypochlorous acid.
What is the SMILES notation for 2-hydroxybenzoic acid;hypochlorous acid?
The canonical SMILES for 2-hydroxybenzoic acid;hypochlorous acid is O=C(O)c1ccccc1O.OCl.
What is the InChIKey of 2-hydroxybenzoic acid;hypochlorous acid?
The InChIKey is NTBCKHYJDZJCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.ClHO/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H,(H,9,10);2H.
What are the key properties of 2-hydroxybenzoic acid;hypochlorous acid?
2-hydroxybenzoic acid;hypochlorous acid has a molecular weight of 190.58 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;hypochlorous acid is sourced from PubChem (CID 68579561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).