1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran

C14H7BBrClO — CID 176875814

IUPAC1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran
SMILESClB1c2c(Br)cccc2-c2oc3ccccc3c21
InChIInChI=1S/C14H7BBrClO/c16-10-6-3-5-9-12(10)15(17)13-8-4-1-2-7-11(8)18-14(9)13/h1-7H
InChIKeyRMXNUJYHBODQSP-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.52
Rot. Bonds

About 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran

1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran (PubChem CID 176875814) has the molecular formula C14H7BBrClO and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran.

Molecular Properties

Compound Name1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran
PubChem CID176875814
Molecular FormulaC14H7BBrClO
Molecular Weight317.38 g/mol
Exact Mass315.95
IUPAC Name1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran
SMILESClB1c2c(Br)cccc2-c2oc3ccccc3c21
InChIInChI=1S/C14H7BBrClO/c16-10-6-3-5-9-12(10)15(17)13-8-4-1-2-7-11(8)18-14(9)13/h1-7H
InChIKeyRMXNUJYHBODQSP-UHFFFAOYSA-N
XLogP3.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran with MolForge

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Related Compounds

2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
CID 102367766
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
1-(6-bromodibenzothiophen-4-yl)dibenzofuran
CID 163710635
10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene
CID 153430683
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
4-(4-bromophenyl)dibenzofuran
CID 59022098
3-(15-oxa-8-aza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaen-8-yl)-N,N-diphenylaniline
CID 166502027
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
1-bromothieno[2,3-b][1]benzofuran
CID 156788125

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran?
The IUPAC name of 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran (CID 176875814) is 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran.
What is the SMILES notation for 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran?
The canonical SMILES for 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran is ClB1c2c(Br)cccc2-c2oc3ccccc3c21.
What is the InChIKey of 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran?
The InChIKey is RMXNUJYHBODQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BBrClO/c16-10-6-3-5-9-12(10)15(17)13-8-4-1-2-7-11(8)18-14(9)13/h1-7H.
What are the key properties of 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran?
1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran has a molecular weight of 317.38 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran is sourced from PubChem (CID 176875814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).