1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene

C19H14BrCl — CID 176647216

IUPAC1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccc(Cl)cc2-c2c1ccc1cccc(Br)c21
InChIInChI=1S/C19H14BrCl/c1-19(2)14-9-7-12(21)10-13(14)18-15(19)8-6-11-4-3-5-16(20)17(11)18/h3-10H,1-2H3
InChIKeyKPAYMMZICFDPMD-UHFFFAOYSA-N
MW357.68 g/mol
LogP6.56
Rot. Bonds

About 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene

1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene (PubChem CID 176647216) has the molecular formula C19H14BrCl and a molecular weight of 357.68 g/mol. Its IUPAC name is 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene
PubChem CID176647216
Molecular FormulaC19H14BrCl
Molecular Weight357.68 g/mol
Exact Mass356.00
IUPAC Name1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccc(Cl)cc2-c2c1ccc1cccc(Br)c21
InChIInChI=1S/C19H14BrCl/c1-19(2)14-9-7-12(21)10-13(14)18-15(19)8-6-11-4-3-5-16(20)17(11)18/h3-10H,1-2H3
InChIKeyKPAYMMZICFDPMD-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.68
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene (CID 176647216) is 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene is CC1(C)c2ccc(Cl)cc2-c2c1ccc1cccc(Br)c21.
What is the InChIKey of 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene?
The InChIKey is KPAYMMZICFDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl/c1-19(2)14-9-7-12(21)10-13(14)18-15(19)8-6-11-4-3-5-16(20)17(11)18/h3-10H,1-2H3.
What are the key properties of 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene?
1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene has a molecular weight of 357.68 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 176647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).