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Home > Boronic Acids > 1217501-31-9
1217501-31-9 | Boronic acid, B-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-
CAS No: 1217501-31-9 Catalog No: AG0015S9 MDL No:MFCD13195651
Product Description
Catalog Number:
AG0015S9
Chemical Name:
Boronic acid, B-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-
CAS Number:
1217501-31-9
Molecular Formula:
C9H9BN2O3
Molecular Weight:
203.9904
MDL Number:
MFCD13195651
IUPAC Name:
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BN2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5,13-14H,1H3
InChI Key:
KVUASKRUUOTZQN-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)c1cccc(c1)B(O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.992g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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