1-bromo-8-chloro-2,6-dideuteriodibenzofuran

C12H6BrClO — CID 171457301

IUPAC1-bromo-8-chloro-2,6-dideuteriodibenzofuran
SMILES[2H]c1ccc2oc3c([2H])cc(Cl)cc3c2c1Br
InChIInChI=1S/C12H6BrClO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6H/i2D,5D
InChIKeyLMGAQFSQAOXEDZ-GSUVGXDCSA-N
MW283.55 g/mol
LogP5.00
Rot. Bonds

About 1-bromo-8-chloro-2,6-dideuteriodibenzofuran

1-bromo-8-chloro-2,6-dideuteriodibenzofuran (PubChem CID 171457301) has the molecular formula C12H6BrClO and a molecular weight of 283.55 g/mol. Its IUPAC name is 1-bromo-8-chloro-2,6-dideuteriodibenzofuran.

Molecular Properties

Compound Name1-bromo-8-chloro-2,6-dideuteriodibenzofuran
PubChem CID171457301
Molecular FormulaC12H6BrClO
Molecular Weight283.55 g/mol
Exact Mass281.94
IUPAC Name1-bromo-8-chloro-2,6-dideuteriodibenzofuran
SMILES[2H]c1ccc2oc3c([2H])cc(Cl)cc3c2c1Br
InChIInChI=1S/C12H6BrClO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6H/i2D,5D
InChIKeyLMGAQFSQAOXEDZ-GSUVGXDCSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
1,7-dibromodibenzofuran
CID 6427988
2-(8-chlorodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059443
1-(10-bromo-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 175882169
2-bromo-8-deuteriodibenzofuran
CID 164823115
3-bromo-2-chlorodibenzofuran
CID 154949827
2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167123653
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-chloro-2,6-dideuteriodibenzofuran?
The IUPAC name of 1-bromo-8-chloro-2,6-dideuteriodibenzofuran (CID 171457301) is 1-bromo-8-chloro-2,6-dideuteriodibenzofuran.
What is the SMILES notation for 1-bromo-8-chloro-2,6-dideuteriodibenzofuran?
The canonical SMILES for 1-bromo-8-chloro-2,6-dideuteriodibenzofuran is [2H]c1ccc2oc3c([2H])cc(Cl)cc3c2c1Br.
What is the InChIKey of 1-bromo-8-chloro-2,6-dideuteriodibenzofuran?
The InChIKey is LMGAQFSQAOXEDZ-GSUVGXDCSA-N. The full InChI is InChI=1S/C12H6BrClO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6H/i2D,5D.
What are the key properties of 1-bromo-8-chloro-2,6-dideuteriodibenzofuran?
1-bromo-8-chloro-2,6-dideuteriodibenzofuran has a molecular weight of 283.55 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-chloro-2,6-dideuteriodibenzofuran is sourced from PubChem (CID 171457301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).