3-bromo-9H-fluorene

C13H9Br — CID 11959045

IUPAC3-bromo-9H-fluorene
SMILESBrc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C13H9Br/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2
InChIKeyNJJDBOFDNCZGSP-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.02
Rot. Bonds

About 3-bromo-9H-fluorene

3-bromo-9H-fluorene (PubChem CID 11959045) has the molecular formula C13H9Br and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-bromo-9H-fluorene.

Molecular Properties

Compound Name3-bromo-9H-fluorene
PubChem CID11959045
Molecular FormulaC13H9Br
Molecular Weight245.12 g/mol
Exact Mass243.99
IUPAC Name3-bromo-9H-fluorene
SMILESBrc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C13H9Br/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2
InChIKeyNJJDBOFDNCZGSP-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
4,4'-Dibromobiphenyl
CID 7110
2-Bromonaphthalene
CID 11372
3,3'-Dibromobiphenyl
CID 153987
3,4',5-Tribromobiphenyl
CID 155722
3,4-Dibromobiphenyl
CID 181262
9-Bromofluorene
CID 16024
3,4'-Dibromobiphenyl
CID 154376
3,4,4'-Tribromobiphenyl
CID 3014518
2-Bromo-9H-fluorene
CID 14336
5-Bromoacenaphthene
CID 74923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9H-fluorene?
The IUPAC name of 3-bromo-9H-fluorene (CID 11959045) is 3-bromo-9H-fluorene.
What is the SMILES notation for 3-bromo-9H-fluorene?
The canonical SMILES for 3-bromo-9H-fluorene is Brc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-bromo-9H-fluorene?
The InChIKey is NJJDBOFDNCZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2.
What are the key properties of 3-bromo-9H-fluorene?
3-bromo-9H-fluorene has a molecular weight of 245.12 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9H-fluorene is sourced from PubChem (CID 11959045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).