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Home > Boronic Acids > 957120-79-5
957120-79-5 | (6-Bromo-2-fluoro-3-(methoxycarbonyl);phenyl);boronic acid
CAS No: 957120-79-5 Catalog No: AG00H80V MDL No:MFCD09800873
Product Description
Catalog Number:
AG00H80V
Chemical Name:
(6-Bromo-2-fluoro-3-(methoxycarbonyl);phenyl);boronic acid
CAS Number:
957120-79-5
Molecular Formula:
C8H7BBrFO4
Molecular Weight:
276.8522
MDL Number:
MFCD09800873
IUPAC Name:
(6-bromo-2-fluoro-3-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H7BBrFO4/c1-15-8(12)4-2-3-5(10)6(7(4)11)9(13)14/h2-3,13-14H,1H3
InChI Key:
DTSNXWLOPSVZPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1F)B(O)O)Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.852g/mol
Monoisotopic Mass:
275.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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