9H-carbazol-3-yloxy(oxo)borane

C12H8BNO2 — CID 91191414

IUPAC9H-carbazol-3-yloxy(oxo)borane
SMILESO=BOc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H8BNO2/c15-13-16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKeyTXVJMPIDVNCVHC-UHFFFAOYSA-N
MW209.01 g/mol
LogP2.66
Rot. Bonds2

About 9H-carbazol-3-yloxy(oxo)borane

9H-carbazol-3-yloxy(oxo)borane (PubChem CID 91191414) has the molecular formula C12H8BNO2 and a molecular weight of 209.01 g/mol. Its IUPAC name is 9H-carbazol-3-yloxy(oxo)borane.

Molecular Properties

Compound Name9H-carbazol-3-yloxy(oxo)borane
PubChem CID91191414
Molecular FormulaC12H8BNO2
Molecular Weight209.01 g/mol
Exact Mass209.06
IUPAC Name9H-carbazol-3-yloxy(oxo)borane
SMILESO=BOc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H8BNO2/c15-13-16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKeyTXVJMPIDVNCVHC-UHFFFAOYSA-N
XLogP2.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.01
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-3-yl benzoate
CID 142723701
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984
CID 123997246
CID 123997246
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
2-phenoxy-10H-acridin-9-one
CID 14029103
9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 142723697
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
CID 142723689

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yloxy(oxo)borane?
The IUPAC name of 9H-carbazol-3-yloxy(oxo)borane (CID 91191414) is 9H-carbazol-3-yloxy(oxo)borane.
What is the SMILES notation for 9H-carbazol-3-yloxy(oxo)borane?
The canonical SMILES for 9H-carbazol-3-yloxy(oxo)borane is O=BOc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazol-3-yloxy(oxo)borane?
The InChIKey is TXVJMPIDVNCVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BNO2/c15-13-16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H.
What are the key properties of 9H-carbazol-3-yloxy(oxo)borane?
9H-carbazol-3-yloxy(oxo)borane has a molecular weight of 209.01 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yloxy(oxo)borane is sourced from PubChem (CID 91191414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).