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Home > Boronic Acids > 850593-12-3
850593-12-3 | (2-Isopropoxy-5-(trifluoromethyl)phenyl)boronic acid
CAS No: 850593-12-3 Catalog No: AG008GP5 MDL No:MFCD07363786
Product Description
Catalog Number:
AG008GP5
Chemical Name:
(2-Isopropoxy-5-(trifluoromethyl)phenyl)boronic acid
CAS Number:
850593-12-3
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD07363786
IUPAC Name:
[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-3-7(10(12,13)14)5-8(9)11(15)16/h3-6,15-16H,1-2H3
InChI Key:
CHIZGUWFZKIYSO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1B(O)O)C(F)(F)F)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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