1-bromo-7-chlorofluoren-9-one

C13H6BrClO — CID 132938805

IUPAC1-bromo-7-chlorofluoren-9-one
SMILESO=C1c2cc(Cl)ccc2-c2cccc(Br)c21
InChIInChI=1S/C13H6BrClO/c14-11-3-1-2-9-8-5-4-7(15)6-10(8)13(16)12(9)11/h1-6H
InChIKeyVBIQQDAKAOJJLD-UHFFFAOYSA-N
MW293.55 g/mol
LogP4.31
Rot. Bonds

About 1-bromo-7-chlorofluoren-9-one

1-bromo-7-chlorofluoren-9-one (PubChem CID 132938805) has the molecular formula C13H6BrClO and a molecular weight of 293.55 g/mol. Its IUPAC name is 1-bromo-7-chlorofluoren-9-one.

Molecular Properties

Compound Name1-bromo-7-chlorofluoren-9-one
PubChem CID132938805
Molecular FormulaC13H6BrClO
Molecular Weight293.55 g/mol
Exact Mass291.93
IUPAC Name1-bromo-7-chlorofluoren-9-one
SMILESO=C1c2cc(Cl)ccc2-c2cccc(Br)c21
InChIInChI=1S/C13H6BrClO/c14-11-3-1-2-9-8-5-4-7(15)6-10(8)13(16)12(9)11/h1-6H
InChIKeyVBIQQDAKAOJJLD-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-chlorofluoren-9-one?
The IUPAC name of 1-bromo-7-chlorofluoren-9-one (CID 132938805) is 1-bromo-7-chlorofluoren-9-one.
What is the SMILES notation for 1-bromo-7-chlorofluoren-9-one?
The canonical SMILES for 1-bromo-7-chlorofluoren-9-one is O=C1c2cc(Cl)ccc2-c2cccc(Br)c21.
What is the InChIKey of 1-bromo-7-chlorofluoren-9-one?
The InChIKey is VBIQQDAKAOJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClO/c14-11-3-1-2-9-8-5-4-7(15)6-10(8)13(16)12(9)11/h1-6H.
What are the key properties of 1-bromo-7-chlorofluoren-9-one?
1-bromo-7-chlorofluoren-9-one has a molecular weight of 293.55 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-chlorofluoren-9-one is sourced from PubChem (CID 132938805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).