3-bromo-6,7-dihydro-5H-benzo[c]fluorene

C17H13Br — CID 157467140

IUPAC3-bromo-6,7-dihydro-5H-benzo[c]fluorene
SMILESBrc1ccc2c(c1)CCC1=C2c2ccccc2C1
InChIInChI=1S/C17H13Br/c18-14-7-8-16-12(10-14)5-6-13-9-11-3-1-2-4-15(11)17(13)16/h1-4,7-8,10H,5-6,9H2
InChIKeyJGKFXZAHZJMQAX-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.75
Rot. Bonds

About 3-bromo-6,7-dihydro-5H-benzo[c]fluorene

3-bromo-6,7-dihydro-5H-benzo[c]fluorene (PubChem CID 157467140) has the molecular formula C17H13Br and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-bromo-6,7-dihydro-5H-benzo[c]fluorene.

Molecular Properties

Compound Name3-bromo-6,7-dihydro-5H-benzo[c]fluorene
PubChem CID157467140
Molecular FormulaC17H13Br
Molecular Weight297.19 g/mol
Exact Mass296.02
IUPAC Name3-bromo-6,7-dihydro-5H-benzo[c]fluorene
SMILESBrc1ccc2c(c1)CCC1=C2c2ccccc2C1
InChIInChI=1S/C17H13Br/c18-14-7-8-16-12(10-14)5-6-13-9-11-3-1-2-4-15(11)17(13)16/h1-4,7-8,10H,5-6,9H2
InChIKeyJGKFXZAHZJMQAX-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dihydro-5H-benzo[c]fluorene?
The IUPAC name of 3-bromo-6,7-dihydro-5H-benzo[c]fluorene (CID 157467140) is 3-bromo-6,7-dihydro-5H-benzo[c]fluorene.
What is the SMILES notation for 3-bromo-6,7-dihydro-5H-benzo[c]fluorene?
The canonical SMILES for 3-bromo-6,7-dihydro-5H-benzo[c]fluorene is Brc1ccc2c(c1)CCC1=C2c2ccccc2C1.
What is the InChIKey of 3-bromo-6,7-dihydro-5H-benzo[c]fluorene?
The InChIKey is JGKFXZAHZJMQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br/c18-14-7-8-16-12(10-14)5-6-13-9-11-3-1-2-4-15(11)17(13)16/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 3-bromo-6,7-dihydro-5H-benzo[c]fluorene?
3-bromo-6,7-dihydro-5H-benzo[c]fluorene has a molecular weight of 297.19 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dihydro-5H-benzo[c]fluorene is sourced from PubChem (CID 157467140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).