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Home > Boronic Acids > 1072951-57-5
1072951-57-5 | 5-Bromo-2-trifluoromethylpyridine-4-boronic acid
CAS No: 1072951-57-5 Catalog No: AG007WIB MDL No:MFCD11504859
Product Description
Catalog Number:
AG007WIB
Chemical Name:
5-Bromo-2-trifluoromethylpyridine-4-boronic acid
CAS Number:
1072951-57-5
Molecular Formula:
C6H4BBrF3NO2
Molecular Weight:
269.8117
MDL Number:
MFCD11504859
IUPAC Name:
[5-bromo-2-(trifluoromethyl)pyridin-4-yl]boronic acid
InChI:
InChI=1S/C6H4BBrF3NO2/c8-4-2-12-5(6(9,10)11)1-3(4)7(13)14/h1-2,13-14H
InChI Key:
OBSKOYIEHGFTFF-UHFFFAOYSA-N
SMILES:
OB(c1cc(ncc1Br)C(F)(F)F)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.947g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.812g/mol
Monoisotopic Mass:
268.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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