2-chloroacetic acid;2-hydroxybenzoic acid

C9H9ClO5 — CID 57351465

IUPAC2-chloroacetic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCl.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C2H3ClO2/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5/h1-4,8H,(H,9,10);1H2,(H,4,5)
InChIKeyCZLTUICJGMXSLY-UHFFFAOYSA-N
MW232.62 g/mol
LogP1.40
Rot. Bonds2

About 2-chloroacetic acid;2-hydroxybenzoic acid

2-chloroacetic acid;2-hydroxybenzoic acid (PubChem CID 57351465) has the molecular formula C9H9ClO5 and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-chloroacetic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Name2-chloroacetic acid;2-hydroxybenzoic acid
PubChem CID57351465
Molecular FormulaC9H9ClO5
Molecular Weight232.62 g/mol
Exact Mass232.01
IUPAC Name2-chloroacetic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCl.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C2H3ClO2/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5/h1-4,8H,(H,9,10);1H2,(H,4,5)
InChIKeyCZLTUICJGMXSLY-UHFFFAOYSA-N
XLogP1.40
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
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
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetic acid;2-hydroxybenzoic acid?
The IUPAC name of 2-chloroacetic acid;2-hydroxybenzoic acid (CID 57351465) is 2-chloroacetic acid;2-hydroxybenzoic acid.
What is the SMILES notation for 2-chloroacetic acid;2-hydroxybenzoic acid?
The canonical SMILES for 2-chloroacetic acid;2-hydroxybenzoic acid is O=C(O)CCl.O=C(O)c1ccccc1O.
What is the InChIKey of 2-chloroacetic acid;2-hydroxybenzoic acid?
The InChIKey is CZLTUICJGMXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C2H3ClO2/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5/h1-4,8H,(H,9,10);1H2,(H,4,5).
What are the key properties of 2-chloroacetic acid;2-hydroxybenzoic acid?
2-chloroacetic acid;2-hydroxybenzoic acid has a molecular weight of 232.62 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetic acid;2-hydroxybenzoic acid is sourced from PubChem (CID 57351465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).