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Home > Boronic Acids > 808126-65-0
808126-65-0 | 1H-IMIDAZOL-5-YLBORONIC ACID
CAS No: 808126-65-0 Catalog No: AG005IPI MDL No:MFCD10696644
Product Description
Catalog Number:
AG005IPI
Chemical Name:
1H-IMIDAZOL-5-YLBORONIC ACID
CAS Number:
808126-65-0
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
MDL Number:
MFCD10696644
IUPAC Name:
1,3-oxazol-5-ylboronic acid
InChI:
InChI=1S/C3H4BNO3/c6-4(7)3-1-5-2-8-3/h1-2,6-7H
InChI Key:
JWGQBMGNJNEKIB-UHFFFAOYSA-N
SMILES:
OB(c1[nH]cnc1)O
Properties
Complexity:
78.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.028g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.879g/mol
Monoisotopic Mass:
113.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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