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Home > Boronic Acids > 1218790-68-1
1218790-68-1 | Boronic acid, B-[2-(2-methylpropoxy)-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1218790-68-1 Catalog No: AG00169C MDL No:MFCD15143472
Product Description
Catalog Number:
AG00169C
Chemical Name:
Boronic acid, B-[2-(2-methylpropoxy)-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1218790-68-1
Molecular Formula:
C10H13BF3NO3
Molecular Weight:
263.0213
MDL Number:
MFCD15143472
IUPAC Name:
[2-(2-methylpropoxy)-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C10H13BF3NO3/c1-6(2)5-18-9-8(11(16)17)3-7(4-15-9)10(12,13)14/h3-4,6,16-17H,5H2,1-2H3
InChI Key:
XNIVHYIBMDZMCA-UHFFFAOYSA-N
SMILES:
CC(COc1ncc(cc1B(O)O)C(F)(F)F)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.023g/mol
Monoisotopic Mass:
263.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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