dihydrogen borate;4-methoxybenzenediazonium

C7H9BN2O4 — CID 173109406

IUPACdihydrogen borate;4-methoxybenzenediazonium
SMILESCOc1ccc([N+]#N)cc1.[O-]B(O)O
InChIInChI=1S/C7H7N2O.BH2O3/c1-10-7-4-2-6(9-8)3-5-7;2-1(3)4/h2-5H,1H3;2-3H/q+1;-1
InChIKeyRXNATHQFIFBNDK-UHFFFAOYSA-N
MW195.97 g/mol
LogP-0.50
Rot. Bonds1

About dihydrogen borate;4-methoxybenzenediazonium

dihydrogen borate;4-methoxybenzenediazonium (PubChem CID 173109406) has the molecular formula C7H9BN2O4 and a molecular weight of 195.97 g/mol. Its IUPAC name is dihydrogen borate;4-methoxybenzenediazonium.

Molecular Properties

Compound Namedihydrogen borate;4-methoxybenzenediazonium
PubChem CID173109406
Molecular FormulaC7H9BN2O4
Molecular Weight195.97 g/mol
Exact Mass196.07
IUPAC Namedihydrogen borate;4-methoxybenzenediazonium
SMILESCOc1ccc([N+]#N)cc1.[O-]B(O)O
InChIInChI=1S/C7H7N2O.BH2O3/c1-10-7-4-2-6(9-8)3-5-7;2-1(3)4/h2-5H,1H3;2-3H/q+1;-1
InChIKeyRXNATHQFIFBNDK-UHFFFAOYSA-N
XLogP-0.50
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.97
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tridecakis(4-methoxybenzenediazonium);tetraborate;fluoride
CID 139783849
zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
CID 6453830
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-diaminoboranyl-4-methoxybenzene
CID 174068514
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
ethane;4-methoxyaniline
CID 144603339
methane;4-methoxyphenol
CID 159494332
4-methoxyaniline;hydrobromide
CID 518270
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981

Frequently Asked Questions

What is the IUPAC name of dihydrogen borate;4-methoxybenzenediazonium?
The IUPAC name of dihydrogen borate;4-methoxybenzenediazonium (CID 173109406) is dihydrogen borate;4-methoxybenzenediazonium.
What is the SMILES notation for dihydrogen borate;4-methoxybenzenediazonium?
The canonical SMILES for dihydrogen borate;4-methoxybenzenediazonium is COc1ccc([N+]#N)cc1.[O-]B(O)O.
What is the InChIKey of dihydrogen borate;4-methoxybenzenediazonium?
The InChIKey is RXNATHQFIFBNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O.BH2O3/c1-10-7-4-2-6(9-8)3-5-7;2-1(3)4/h2-5H,1H3;2-3H/q+1;-1.
What are the key properties of dihydrogen borate;4-methoxybenzenediazonium?
dihydrogen borate;4-methoxybenzenediazonium has a molecular weight of 195.97 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen borate;4-methoxybenzenediazonium is sourced from PubChem (CID 173109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).