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Home > Boronic Acids > 313545-39-0
313545-39-0 | 4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
CAS No: 313545-39-0 Catalog No: AG00CHO1 MDL No:MFCD08059515
Product Description
Catalog Number:
AG00CHO1
Chemical Name:
4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
CAS Number:
313545-39-0
Molecular Formula:
C9H10BF3O3
Molecular Weight:
233.9801
MDL Number:
MFCD08059515
IUPAC Name:
[4-ethoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O3/c1-2-16-6-3-4-8(10(14)15)7(5-6)9(11,12)13/h3-5,14-15H,2H2,1H3
InChI Key:
OGQUWAGSWMWDRG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.981g/mol
Monoisotopic Mass:
234.068g/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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