CID 173493835

C8H6B2 — CID 173493835

IUPAC—
SMILES[B]C1c2ccccc2C1[B]
InChIInChI=1S/C8H6B2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7-8H
InChIKeyYXKHDLQYRZPDGV-UHFFFAOYSA-N
MW123.76 g/mol
LogP1.12
Rot. Bonds

About CID 173493835

CID 173493835 (PubChem CID 173493835) has the molecular formula C8H6B2 and a molecular weight of 123.76 g/mol.

Molecular Properties

Compound NameCID 173493835
PubChem CID173493835
Molecular FormulaC8H6B2
Molecular Weight123.76 g/mol
Exact Mass124.07
IUPAC Name—
SMILES[B]C1c2ccccc2C1[B]
InChIInChI=1S/C8H6B2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7-8H
InChIKeyYXKHDLQYRZPDGV-UHFFFAOYSA-N
XLogP1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.76
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
CID 175321967
CID 175321967
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 69401659
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
CID 98158883
2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene
CID 134950584
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870

Frequently Asked Questions

What is the IUPAC name of CID 173493835?
The IUPAC name of CID 173493835 (CID 173493835) is not available.
What is the SMILES notation for CID 173493835?
The canonical SMILES for CID 173493835 is [B]C1c2ccccc2C1[B].
What is the InChIKey of CID 173493835?
The InChIKey is YXKHDLQYRZPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6B2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7-8H.
What are the key properties of CID 173493835?
CID 173493835 has a molecular weight of 123.76 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173493835 is sourced from PubChem (CID 173493835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).