CID 90071189

C14H8BBr — CID 90071189

IUPAC—
SMILES[B]c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C14H8BBr/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyXFVCAOSRKZXNBS-UHFFFAOYSA-N
MW266.93 g/mol
LogP3.55
Rot. Bonds

About CID 90071189

CID 90071189 (PubChem CID 90071189) has the molecular formula C14H8BBr and a molecular weight of 266.93 g/mol.

Molecular Properties

Compound NameCID 90071189
PubChem CID90071189
Molecular FormulaC14H8BBr
Molecular Weight266.93 g/mol
Exact Mass265.99
IUPAC Name—
SMILES[B]c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C14H8BBr/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyXFVCAOSRKZXNBS-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.93
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90071189?
The IUPAC name of CID 90071189 (CID 90071189) is not available.
What is the SMILES notation for CID 90071189?
The canonical SMILES for CID 90071189 is [B]c1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of CID 90071189?
The InChIKey is XFVCAOSRKZXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BBr/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of CID 90071189?
CID 90071189 has a molecular weight of 266.93 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90071189 is sourced from PubChem (CID 90071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).