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Home > Boronic Acids > 868272-84-8
868272-84-8 | (3-Bromo-5-fluoro-2-propoxyphenyl)boronic acid
CAS No: 868272-84-8 Catalog No: AG003J2T MDL No:MFCD07369707
Product Description
Catalog Number:
AG003J2T
Chemical Name:
(3-Bromo-5-fluoro-2-propoxyphenyl)boronic acid
CAS Number:
868272-84-8
Molecular Formula:
C9H11BBrFO3
Molecular Weight:
276.8952
MDL Number:
MFCD07369707
IUPAC Name:
(3-bromo-5-fluoro-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BBrFO3/c1-2-3-15-9-7(10(13)14)4-6(12)5-8(9)11/h4-5,13-14H,2-3H2,1H3
InChI Key:
XOBLNJQYFCQQTQ-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cc(cc1B(O)O)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.896g/mol
Monoisotopic Mass:
275.997g/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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