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Home > Boronic Acids > 1072951-99-5
1072951-99-5 | (6-Bromo-2-fluoro-3-isopropoxyphenyl);boronic acid
CAS No: 1072951-99-5 Catalog No: AG003N3U MDL No:MFCD08457649
Product Description
Catalog Number:
AG003N3U
Chemical Name:
(6-Bromo-2-fluoro-3-isopropoxyphenyl);boronic acid
CAS Number:
1072951-99-5
Molecular Formula:
C9H11BBrFO3
Molecular Weight:
276.8952
MDL Number:
MFCD08457649
IUPAC Name:
(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BBrFO3/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14/h3-5,13-14H,1-2H3
InChI Key:
JIDCDBHYZFYNSO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1F)B(O)O)Br)C
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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