2-(2-chlorocarbazol-9-yl)benzoic acid

C19H12ClNO2 — CID 22075911

IUPAC2-(2-chlorocarbazol-9-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1c2ccccc2c2ccc(Cl)cc21
InChIInChI=1S/C19H12ClNO2/c20-12-9-10-14-13-5-1-3-7-16(13)21(18(14)11-12)17-8-4-2-6-15(17)19(22)23/h1-11H,(H,22,23)
InChIKeyPLPOEDBLOXNFEV-UHFFFAOYSA-N
MW321.76 g/mol
LogP5.14
Rot. Bonds2

About 2-(2-chlorocarbazol-9-yl)benzoic acid

2-(2-chlorocarbazol-9-yl)benzoic acid (PubChem CID 22075911) has the molecular formula C19H12ClNO2 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-(2-chlorocarbazol-9-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-chlorocarbazol-9-yl)benzoic acid
PubChem CID22075911
Molecular FormulaC19H12ClNO2
Molecular Weight321.76 g/mol
Exact Mass321.06
IUPAC Name2-(2-chlorocarbazol-9-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1c2ccccc2c2ccc(Cl)cc21
InChIInChI=1S/C19H12ClNO2/c20-12-9-10-14-13-5-1-3-7-16(13)21(18(14)11-12)17-8-4-2-6-15(17)19(22)23/h1-11H,(H,22,23)
InChIKeyPLPOEDBLOXNFEV-UHFFFAOYSA-N
XLogP5.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.76
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorocarbazol-9-yl)benzoic acid?
The IUPAC name of 2-(2-chlorocarbazol-9-yl)benzoic acid (CID 22075911) is 2-(2-chlorocarbazol-9-yl)benzoic acid.
What is the SMILES notation for 2-(2-chlorocarbazol-9-yl)benzoic acid?
The canonical SMILES for 2-(2-chlorocarbazol-9-yl)benzoic acid is O=C(O)c1ccccc1-n1c2ccccc2c2ccc(Cl)cc21.
What is the InChIKey of 2-(2-chlorocarbazol-9-yl)benzoic acid?
The InChIKey is PLPOEDBLOXNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2/c20-12-9-10-14-13-5-1-3-7-16(13)21(18(14)11-12)17-8-4-2-6-15(17)19(22)23/h1-11H,(H,22,23).
What are the key properties of 2-(2-chlorocarbazol-9-yl)benzoic acid?
2-(2-chlorocarbazol-9-yl)benzoic acid has a molecular weight of 321.76 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocarbazol-9-yl)benzoic acid is sourced from PubChem (CID 22075911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).