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Home > Boronic Acids > 612833-41-7
612833-41-7 | 2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS No: 612833-41-7 Catalog No: AG00EB48 MDL No:MFCD06801696
Product Description
Catalog Number:
AG00EB48
Chemical Name:
2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS Number:
612833-41-7
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
MDL Number:
MFCD06801696
IUPAC Name:
[2-phenylmethoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-7-13(12(8-11)15(19)20)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
InChI Key:
NWZHBEJEZSNEIF-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1OCc1ccccc1)C(F)(F)F)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.052g/mol
Monoisotopic Mass:
296.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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