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Home > Boronic Acids > 1016231-40-5
1016231-40-5 | Boronic acid, B-(4-bromo-2,3,5,6-tetrafluorophenyl)-
CAS No: 1016231-40-5 Catalog No: AG000502 MDL No:MFCD05664311
Product Description
Catalog Number:
AG000502
Chemical Name:
Boronic acid, B-(4-bromo-2,3,5,6-tetrafluorophenyl)-
CAS Number:
1016231-40-5
Molecular Formula:
C6H2BBrF4O2
Molecular Weight:
272.7875
MDL Number:
MFCD05664311
IUPAC Name:
(4-bromo-2,3,5,6-tetrafluorophenyl)boronic acid
InChI:
InChI=1S/C6H2BBrF4O2/c8-2-5(11)3(9)1(7(13)14)4(10)6(2)12/h13-14H
InChI Key:
WFADCDXWIFNRJC-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(B(O)O)c(c(c1Br)F)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.927g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.788g/mol
Monoisotopic Mass:
271.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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