phenyl(2H-tetrazol-5-yloxy)borinic acid

C7H7BN4O2 — CID 66704140

IUPACphenyl(2H-tetrazol-5-yloxy)borinic acid
SMILESOB(Oc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C7H7BN4O2/c13-8(6-4-2-1-3-5-6)14-7-9-11-12-10-7/h1-5,13H,(H,9,10,11,12)
InChIKeyBSWAYQIDLDPYQU-UHFFFAOYSA-N
MW189.97 g/mol
LogP-1.03
Rot. Bonds3

About phenyl(2H-tetrazol-5-yloxy)borinic acid

phenyl(2H-tetrazol-5-yloxy)borinic acid (PubChem CID 66704140) has the molecular formula C7H7BN4O2 and a molecular weight of 189.97 g/mol. Its IUPAC name is phenyl(2H-tetrazol-5-yloxy)borinic acid.

Molecular Properties

Compound Namephenyl(2H-tetrazol-5-yloxy)borinic acid
PubChem CID66704140
Molecular FormulaC7H7BN4O2
Molecular Weight189.97 g/mol
Exact Mass190.07
IUPAC Namephenyl(2H-tetrazol-5-yloxy)borinic acid
SMILESOB(Oc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C7H7BN4O2/c13-8(6-4-2-1-3-5-6)14-7-9-11-12-10-7/h1-5,13H,(H,9,10,11,12)
InChIKeyBSWAYQIDLDPYQU-UHFFFAOYSA-N
XLogP-1.03
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(2H-tetrazol-5-yloxy)borinic acid?
The IUPAC name of phenyl(2H-tetrazol-5-yloxy)borinic acid (CID 66704140) is phenyl(2H-tetrazol-5-yloxy)borinic acid.
What is the SMILES notation for phenyl(2H-tetrazol-5-yloxy)borinic acid?
The canonical SMILES for phenyl(2H-tetrazol-5-yloxy)borinic acid is OB(Oc1nn[nH]n1)c1ccccc1.
What is the InChIKey of phenyl(2H-tetrazol-5-yloxy)borinic acid?
The InChIKey is BSWAYQIDLDPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN4O2/c13-8(6-4-2-1-3-5-6)14-7-9-11-12-10-7/h1-5,13H,(H,9,10,11,12).
What are the key properties of phenyl(2H-tetrazol-5-yloxy)borinic acid?
phenyl(2H-tetrazol-5-yloxy)borinic acid has a molecular weight of 189.97 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2H-tetrazol-5-yloxy)borinic acid is sourced from PubChem (CID 66704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).