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Home > Boronic Acids > 1315340-56-7
1315340-56-7 | Boronic acid, B-(4-bromo-2-ethoxy-6-fluorophenyl)-
CAS No: 1315340-56-7 Catalog No: AG000ZDH MDL No:MFCD12026730
Product Description
Catalog Number:
AG000ZDH
Chemical Name:
Boronic acid, B-(4-bromo-2-ethoxy-6-fluorophenyl)-
CAS Number:
1315340-56-7
Molecular Formula:
C8H9BBrFO3
Molecular Weight:
262.8687
MDL Number:
MFCD12026730
IUPAC Name:
(4-bromo-2-ethoxy-6-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BBrFO3/c1-2-14-7-4-5(10)3-6(11)8(7)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key:
QIAHCZUMIHBXQO-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)cc(c1B(O)O)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.869g/mol
Monoisotopic Mass:
261.981g/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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