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Home > Boronic Acids > 1072951-56-4
1072951-56-4 | 5-BROMO-2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
CAS No: 1072951-56-4 Catalog No: AG0090FC MDL No:MFCD11504857
Product Description
Catalog Number:
AG0090FC
Chemical Name:
5-BROMO-2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
CAS Number:
1072951-56-4
Molecular Formula:
C7H5BBrF3O3
Molecular Weight:
284.8230
MDL Number:
MFCD11504857
IUPAC Name:
[5-bromo-2-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BBrF3O3/c9-4-1-2-6(15-7(10,11)12)5(3-4)8(13)14/h1-3,13-14H
InChI Key:
GLPYFDWQKJBUGP-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.947g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.823g/mol
Monoisotopic Mass:
283.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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