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Home > Boronic Acids > 1218790-63-6
1218790-63-6 | Boronic acid, B-[2-propoxy-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1218790-63-6 Catalog No: AG00169H MDL No:MFCD15143467
Product Description
Catalog Number:
AG00169H
Chemical Name:
Boronic acid, B-[2-propoxy-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1218790-63-6
Molecular Formula:
C9H11BF3NO3
Molecular Weight:
248.9947
MDL Number:
MFCD15143467
IUPAC Name:
[2-propoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H11BF3NO3/c1-2-3-17-8-7(10(15)16)4-6(5-14-8)9(11,12)13/h4-5,15-16H,2-3H2,1H3
InChI Key:
XUPVKTJXWXMARY-UHFFFAOYSA-N
SMILES:
CCCOc1ncc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.996g/mol
Monoisotopic Mass:
249.078g/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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