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Home > Boronic Acids > 1256345-44-4
1256345-44-4 | Boronic acid, B-[3-(1-methylethoxy)-5-(trifluoromethyl)phenyl]-
CAS No: 1256345-44-4 Catalog No: AG000NZ7 MDL No:MFCD16660265
Product Description
Catalog Number:
AG000NZ7
Chemical Name:
Boronic acid, B-[3-(1-methylethoxy)-5-(trifluoromethyl)phenyl]-
CAS Number:
1256345-44-4
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD16660265
IUPAC Name:
[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-7(10(12,13)14)3-8(5-9)11(15)16/h3-6,15-16H,1-2H3
InChI Key:
BPKZAAHUIMXNLY-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(cc(c1)C(F)(F)F)B(O)O)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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