CID 174047187

C16H4B5BrO — CID 174047187

IUPAC—
SMILES[B]c1c([B])c([B])c2c(c([B])c([B])c3oc4ccccc4c32)c1Br
InChIInChI=1S/C16H4B5BrO/c17-10-8-7-5-3-1-2-4-6(5)23-16(7)14(21)11(18)9(8)15(22)13(20)12(10)19/h1-4H
InChIKeyUADVMGNASGZWGB-UHFFFAOYSA-N
MW346.17 g/mol
LogP-0.53
Rot. Bonds

About CID 174047187

CID 174047187 (PubChem CID 174047187) has the molecular formula C16H4B5BrO and a molecular weight of 346.17 g/mol.

Molecular Properties

Compound NameCID 174047187
PubChem CID174047187
Molecular FormulaC16H4B5BrO
Molecular Weight346.17 g/mol
Exact Mass345.99
IUPAC Name—
SMILES[B]c1c([B])c([B])c2c(c([B])c([B])c3oc4ccccc4c32)c1Br
InChIInChI=1S/C16H4B5BrO/c17-10-8-7-5-3-1-2-4-6(5)23-16(7)14(21)11(18)9(8)15(22)13(20)12(10)19/h1-4H
InChIKeyUADVMGNASGZWGB-UHFFFAOYSA-N
XLogP-0.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(10-bromoanthracen-9-yl)dibenzofuran-2,3,4-triol
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3-bromo-1,2-bis(ethenyl)dibenzofuran
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Frequently Asked Questions

What is the IUPAC name of CID 174047187?
The IUPAC name of CID 174047187 (CID 174047187) is not available.
What is the SMILES notation for CID 174047187?
The canonical SMILES for CID 174047187 is [B]c1c([B])c([B])c2c(c([B])c([B])c3oc4ccccc4c32)c1Br.
What is the InChIKey of CID 174047187?
The InChIKey is UADVMGNASGZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H4B5BrO/c17-10-8-7-5-3-1-2-4-6(5)23-16(7)14(21)11(18)9(8)15(22)13(20)12(10)19/h1-4H.
What are the key properties of CID 174047187?
CID 174047187 has a molecular weight of 346.17 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174047187 is sourced from PubChem (CID 174047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).