10-bromoanthracene-9-carboxylic acid

C15H9BrO2 — CID 4087319

IUPAC10-bromoanthracene-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C15H9BrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8H,(H,17,18)
InChIKeyWBDRSGFQJKKJCW-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.45
Rot. Bonds1

About 10-bromoanthracene-9-carboxylic acid

10-bromoanthracene-9-carboxylic acid (PubChem CID 4087319) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 10-bromoanthracene-9-carboxylic acid.

Molecular Properties

Compound Name10-bromoanthracene-9-carboxylic acid
PubChem CID4087319
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name10-bromoanthracene-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C15H9BrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8H,(H,17,18)
InChIKeyWBDRSGFQJKKJCW-UHFFFAOYSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Anthracenecarboxylic acid
CID 2201
3-Phenanthrenecarboxylic acid
CID 24056
Phenanthrene-4-carboxylic acid
CID 181727
1-Bromo-2-naphthoic acid
CID 88665
5-Bromo-2,3,4-trimethylbenzoic acid
CID 853514
2-Anthracenecarboxylic Acid
CID 101325
8-Bromo-1-naphthoic acid
CID 72873
4-Bromo-1-naphthoic acid
CID 282591
1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-
CID 66493
3-(Naphthalen-2-yl)benzoic acid
CID 2760150
Methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
1-Anthracenecarboxylic Acid
CID 150789

Frequently Asked Questions

What is the IUPAC name of 10-bromoanthracene-9-carboxylic acid?
The IUPAC name of 10-bromoanthracene-9-carboxylic acid (CID 4087319) is 10-bromoanthracene-9-carboxylic acid.
What is the SMILES notation for 10-bromoanthracene-9-carboxylic acid?
The canonical SMILES for 10-bromoanthracene-9-carboxylic acid is O=C(O)c1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 10-bromoanthracene-9-carboxylic acid?
The InChIKey is WBDRSGFQJKKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8H,(H,17,18).
What are the key properties of 10-bromoanthracene-9-carboxylic acid?
10-bromoanthracene-9-carboxylic acid has a molecular weight of 301.14 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromoanthracene-9-carboxylic acid is sourced from PubChem (CID 4087319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).