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Home > Boronic Acids > 1264175-59-8
1264175-59-8 | Boronic acid, B-[4-bromo-2-fluoro-6-(phenylmethoxy)phenyl]-
CAS No: 1264175-59-8 Catalog No: AG000SRT MDL No:MFCD12026729
Product Description
Catalog Number:
AG000SRT
Chemical Name:
Boronic acid, B-[4-bromo-2-fluoro-6-(phenylmethoxy)phenyl]-
CAS Number:
1264175-59-8
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD12026729
IUPAC Name:
(4-bromo-2-fluoro-6-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-10-6-11(16)13(14(17)18)12(7-10)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
GRLVPXMDOXTRPY-UHFFFAOYSA-N
SMILES:
Brc1cc(OCc2ccccc2)c(c(c1)F)B(O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.94g/mol
Monoisotopic Mass:
323.997g/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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