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Home > Boronic Acids > 959997-86-5
959997-86-5 | 2-Bromo-4-(trifluoromethoxy)phenylboronic acid
CAS No: 959997-86-5 Catalog No: AG00IJQ1 MDL No:MFCD19237163
Product Description
Catalog Number:
AG00IJQ1
Chemical Name:
2-Bromo-4-(trifluoromethoxy)phenylboronic acid
CAS Number:
959997-86-5
Molecular Formula:
C7H5BBrF3O3
Molecular Weight:
284.8230
MDL Number:
MFCD19237163
IUPAC Name:
[2-bromo-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BBrF3O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:
WRAOUQSLNOJJFK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1Br)OC(F)(F)F)O
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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