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Home > Boronic Acids > 1021920-36-4
1021920-36-4 | Boronic acid, B-[4-(1H-1,2,4-triazol-5-yl)phenyl]-
CAS No: 1021920-36-4 Catalog No: AG0006V4 MDL No:
Product Description
Catalog Number:
AG0006V4
Chemical Name:
Boronic acid, B-[4-(1H-1,2,4-triazol-5-yl)phenyl]-
CAS Number:
1021920-36-4
Molecular Formula:
C8H8BN3O2
Molecular Weight:
188.9790
IUPAC Name:
[4-(1H-1,2,4-triazol-5-yl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BN3O2/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5,13-14H,(H,10,11,12)
InChI Key:
MTQRSAMYORTFQT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1ncn[nH]1)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.981g/mol
Monoisotopic Mass:
189.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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