Text Search
Structure Search

1H-1,2,3-triazol-4-ylboronic acid

1H-1,2,3-triazol-4-ylboronic acid

CAS: 2225172-22-3

Formula: C2H4BN3O2

SMILES: OB(O)C1=CNN=N1

IUPAC: (1H-1,2,3-triazol-4-yl)boronic acid

InChI: InChI=1S/C2H4BN3O2/c7-3(8)2-1-4-6-5-2/h1,7-8H,(H,4,5,6)

Composition: C (21.28%), H (3.57%), B (9.58%), N (37.23%), O (28.35%)

Molar Mass: 112.88

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 113.039656
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NXHSZPKFIIPEGZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 22.96
Topological Polar Surface Area 82.03
Polarizability 9.6
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
J&W PHARMLAB LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2225172-22-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,132.75$4,597.70
Request Quote