benzene;3,4-dibromo-9H-fluorene

C19H14Br2 — CID 159679673

IUPACbenzene;3,4-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1
InChIInChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H
InChIKeyMVBCJOUIRVJJCN-UHFFFAOYSA-N
MW402.13 g/mol
LogP6.47
Rot. Bonds

About benzene;3,4-dibromo-9H-fluorene

benzene;3,4-dibromo-9H-fluorene (PubChem CID 159679673) has the molecular formula C19H14Br2 and a molecular weight of 402.13 g/mol. Its IUPAC name is benzene;3,4-dibromo-9H-fluorene.

Molecular Properties

Compound Namebenzene;3,4-dibromo-9H-fluorene
PubChem CID159679673
Molecular FormulaC19H14Br2
Molecular Weight402.13 g/mol
Exact Mass399.95
IUPAC Namebenzene;3,4-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1
InChIInChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H
InChIKeyMVBCJOUIRVJJCN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.13
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;3,4-dibromo-9H-fluorene?
The IUPAC name of benzene;3,4-dibromo-9H-fluorene (CID 159679673) is benzene;3,4-dibromo-9H-fluorene.
What is the SMILES notation for benzene;3,4-dibromo-9H-fluorene?
The canonical SMILES for benzene;3,4-dibromo-9H-fluorene is Brc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1.
What is the InChIKey of benzene;3,4-dibromo-9H-fluorene?
The InChIKey is MVBCJOUIRVJJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H.
What are the key properties of benzene;3,4-dibromo-9H-fluorene?
benzene;3,4-dibromo-9H-fluorene has a molecular weight of 402.13 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,4-dibromo-9H-fluorene is sourced from PubChem (CID 159679673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).