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Home > Boronic Acids > 1218790-79-4
1218790-79-4 | Boronic acid, B-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-
CAS No: 1218790-79-4 Catalog No: AG0016AE MDL No:MFCD07374887
Product Description
Catalog Number:
AG0016AE
Chemical Name:
Boronic acid, B-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-
CAS Number:
1218790-79-4
Molecular Formula:
C7H7BF3NO3
Molecular Weight:
220.9416
MDL Number:
MFCD07374887
IUPAC Name:
[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H7BF3NO3/c9-7(10,11)4-15-6-5(8(13)14)2-1-3-12-6/h1-3,13-14H,4H2
InChI Key:
IEXZQXIMOMPBOM-UHFFFAOYSA-N
SMILES:
OB(c1cccnc1OCC(F)(F)F)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.942g/mol
Monoisotopic Mass:
221.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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