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Home > Boronic Acids > 1315340-55-6
1315340-55-6 | Boronic acid, B-(6-bromo-2-fluoro-3-formylphenyl)-
CAS No: 1315340-55-6 Catalog No: AG000ZDI MDL No:MFCD12026727
Product Description
Catalog Number:
AG000ZDI
Chemical Name:
Boronic acid, B-(6-bromo-2-fluoro-3-formylphenyl)-
CAS Number:
1315340-55-6
Molecular Formula:
C7H5BBrFO3
Molecular Weight:
246.8262
MDL Number:
MFCD12026727
IUPAC Name:
(6-bromo-2-fluoro-3-formylphenyl)boronic acid
InChI:
InChI=1S/C7H5BBrFO3/c9-5-2-1-4(3-11)7(10)6(5)8(12)13/h1-3,12-13H
InChI Key:
OYJQHXWCSHEDMD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1F)B(O)O)Br
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.95g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.826g/mol
Monoisotopic Mass:
245.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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