4-Chlorobenzoic Acid

C7H5ClO2 — CID 6318

IUPAC4-chlorobenzoic acid
SMILESC1=CC(=CC=C1C(=O)O)Cl
InChIInChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyXRHGYUZYPHTUJZ-UHFFFAOYSA-N
MW156.56 g/mol
LogP2.70
Rot. Bonds1

About 4-Chlorobenzoic Acid

4-Chlorobenzoic Acid (PubChem CID 6318) has the molecular formula C7H5ClO2 and a molecular weight of 156.56 g/mol. Its IUPAC name is 4-chlorobenzoic acid.

Molecular Properties

Compound Name4-Chlorobenzoic Acid
PubChem CID6318
Molecular FormulaC7H5ClO2
Molecular Weight156.56 g/mol
Exact Mass156.00
IUPAC Name4-chlorobenzoic acid
SMILESC1=CC(=CC=C1C(=O)O)Cl
InChIInChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyXRHGYUZYPHTUJZ-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity128

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoic Acid
CID 243
2-Chlorobenzoic Acid
CID 8374
3-Chlorobenzoic Acid
CID 447
m-Chloroperbenzoic acid
CID 70297
p-(Chloromercuri)benzoic acid
CID 1730
4-Iodobenzoic acid
CID 12085
(4-Chlorophenyl)acetic acid
CID 15880
2,6-Dichlorobenzoic acid
CID 5758
3,5-Dichlorobenzoic acid
CID 5811
2,4-Dichlorobenzoic Acid
CID 5787
2,5-Dichlorobenzoic acid
CID 5784
3,4-Dichlorobenzoic acid
CID 5817

Frequently Asked Questions

What is the IUPAC name of 4-Chlorobenzoic Acid?
The IUPAC name of 4-Chlorobenzoic Acid (CID 6318) is 4-chlorobenzoic acid.
What is the SMILES notation for 4-Chlorobenzoic Acid?
The canonical SMILES for 4-Chlorobenzoic Acid is C1=CC(=CC=C1C(=O)O)Cl.
What is the InChIKey of 4-Chlorobenzoic Acid?
The InChIKey is XRHGYUZYPHTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10).
What are the key properties of 4-Chlorobenzoic Acid?
4-Chlorobenzoic Acid has a molecular weight of 156.56 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chlorobenzoic Acid is sourced from PubChem (CID 6318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).