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Home > Boronic Acids > 1401163-85-6
1401163-85-6 | [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID
CAS No: 1401163-85-6 Catalog No: AG009AZC MDL No:MFCD07375137
Product Description
Catalog Number:
AG009AZC
Chemical Name:
[2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID
CAS Number:
1401163-85-6
Molecular Formula:
C6H6BF3N2O3
Molecular Weight:
221.9296
MDL Number:
MFCD07375137
IUPAC Name:
[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C6H6BF3N2O3/c8-6(9,10)3-15-5-11-1-4(2-12-5)7(13)14/h1-2,13-14H,3H2
InChI Key:
AQKQSXGEHZAYIS-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)OCC(F)(F)F)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.93g/mol
Monoisotopic Mass:
222.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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