6-bromo-1-chloroanthracene-9,10-dione

C14H6BrClO2 — CID 157462041

IUPAC6-bromo-1-chloroanthracene-9,10-dione
SMILESO=C1c2cc(Br)ccc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H6BrClO2/c15-7-4-5-8-10(6-7)13(17)9-2-1-3-11(16)12(9)14(8)18/h1-6H
InChIKeyBUAPNSIRPFXVJR-UHFFFAOYSA-N
MW321.56 g/mol
LogP3.88
Rot. Bonds

About 6-bromo-1-chloroanthracene-9,10-dione

6-bromo-1-chloroanthracene-9,10-dione (PubChem CID 157462041) has the molecular formula C14H6BrClO2 and a molecular weight of 321.56 g/mol. Its IUPAC name is 6-bromo-1-chloroanthracene-9,10-dione.

Molecular Properties

Compound Name6-bromo-1-chloroanthracene-9,10-dione
PubChem CID157462041
Molecular FormulaC14H6BrClO2
Molecular Weight321.56 g/mol
Exact Mass319.92
IUPAC Name6-bromo-1-chloroanthracene-9,10-dione
SMILESO=C1c2cc(Br)ccc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H6BrClO2/c15-7-4-5-8-10(6-7)13(17)9-2-1-3-11(16)12(9)14(8)18/h1-6H
InChIKeyBUAPNSIRPFXVJR-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

sodium 8-chloro-9,10-dioxoanthracene-2-sulfonate
CID 44784325
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-chloroanthracene-9,10-dione;ethane;2-methylanthracene-9,10-dione
CID 174912168
11-bromobenzo[b]triphenylene-9,14-dione
CID 58151206
2-bromo-10-methylideneanthracen-9-one
CID 89197821
5-chloro-2-fluorofluoren-9-one
CID 82579497
7-bromo-9-oxofluorene-4-carboxylic acid
CID 68686419
2-bromotetracene-5,12-dione
CID 15745128
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-pentylanthracene-9,10-dione
CID 174787165
1,5-dichloro-10-methylideneanthracen-9-one
CID 13129777
3,4,5-trichlorofluoren-9-one
CID 82579530
9-bromobenzo[a]phenalen-7-one
CID 118565290

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloroanthracene-9,10-dione?
The IUPAC name of 6-bromo-1-chloroanthracene-9,10-dione (CID 157462041) is 6-bromo-1-chloroanthracene-9,10-dione.
What is the SMILES notation for 6-bromo-1-chloroanthracene-9,10-dione?
The canonical SMILES for 6-bromo-1-chloroanthracene-9,10-dione is O=C1c2cc(Br)ccc2C(=O)c2c(Cl)cccc21.
What is the InChIKey of 6-bromo-1-chloroanthracene-9,10-dione?
The InChIKey is BUAPNSIRPFXVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrClO2/c15-7-4-5-8-10(6-7)13(17)9-2-1-3-11(16)12(9)14(8)18/h1-6H.
What are the key properties of 6-bromo-1-chloroanthracene-9,10-dione?
6-bromo-1-chloroanthracene-9,10-dione has a molecular weight of 321.56 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloroanthracene-9,10-dione is sourced from PubChem (CID 157462041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).