4-chlorobenzoic acid;molecular hydrogen

C7H7ClO2 — CID 175545154

IUPAC4-chlorobenzoic acid;molecular hydrogen
SMILESO=C(O)c1ccc(Cl)cc1.[H][H]
InChIInChI=1S/C7H5ClO2.H2/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);1H
InChIKeyUHJDHQOBQSXXMQ-UHFFFAOYSA-N
MW158.58 g/mol
LogP2.28
Rot. Bonds1

About 4-chlorobenzoic acid;molecular hydrogen

4-chlorobenzoic acid;molecular hydrogen (PubChem CID 175545154) has the molecular formula C7H7ClO2 and a molecular weight of 158.58 g/mol. Its IUPAC name is 4-chlorobenzoic acid;molecular hydrogen.

Molecular Properties

Compound Name4-chlorobenzoic acid;molecular hydrogen
PubChem CID175545154
Molecular FormulaC7H7ClO2
Molecular Weight158.58 g/mol
Exact Mass158.01
IUPAC Name4-chlorobenzoic acid;molecular hydrogen
SMILESO=C(O)c1ccc(Cl)cc1.[H][H]
InChIInChI=1S/C7H5ClO2.H2/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);1H
InChIKeyUHJDHQOBQSXXMQ-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro(13C)benzoic acid
CID 66995527
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
4-chlorobenzoic acid;fluoromethane
CID 174932068
terephthalic acid
CID 160582437
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
terephthalic acid;trichlorobismuthane
CID 175456878
ethene;terephthalic acid
CID 18755810

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzoic acid;molecular hydrogen?
The IUPAC name of 4-chlorobenzoic acid;molecular hydrogen (CID 175545154) is 4-chlorobenzoic acid;molecular hydrogen.
What is the SMILES notation for 4-chlorobenzoic acid;molecular hydrogen?
The canonical SMILES for 4-chlorobenzoic acid;molecular hydrogen is O=C(O)c1ccc(Cl)cc1.[H][H].
What is the InChIKey of 4-chlorobenzoic acid;molecular hydrogen?
The InChIKey is UHJDHQOBQSXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.H2/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);1H.
What are the key properties of 4-chlorobenzoic acid;molecular hydrogen?
4-chlorobenzoic acid;molecular hydrogen has a molecular weight of 158.58 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzoic acid;molecular hydrogen is sourced from PubChem (CID 175545154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).