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Home > Boronic Acids > 1256358-58-3
1256358-58-3 | Boronic acid, B-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-
CAS No: 1256358-58-3 Catalog No: AG000O5O MDL No:MFCD14581929
Product Description
Catalog Number:
AG000O5O
Chemical Name:
Boronic acid, B-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-
CAS Number:
1256358-58-3
Molecular Formula:
C12H9BF3NO3
Molecular Weight:
283.0110
MDL Number:
MFCD14581929
IUPAC Name:
[6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C12H9BF3NO3/c14-12(15,16)8-1-4-10(5-2-8)20-11-6-3-9(7-17-11)13(18)19/h1-7,18-19H
InChI Key:
ARLNSNRYOJMOCB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)Oc1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.013g/mol
Monoisotopic Mass:
283.063g/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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