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Home > Boronic Acids > 1400770-52-6
1400770-52-6 | Boronic acid, B-(2-bromo-3,4,5-trifluorophenyl)-
CAS No: 1400770-52-6 Catalog No: AG001C0M MDL No:
Product Description
Catalog Number:
AG001C0M
Chemical Name:
Boronic acid, B-(2-bromo-3,4,5-trifluorophenyl)-
CAS Number:
1400770-52-6
Molecular Formula:
C6H3BBrF3O2
Molecular Weight:
254.7970
IUPAC Name:
(2-bromo-3,4,5-trifluorophenyl)boronic acid
InChI:
InChI=1S/C6H3BBrF3O2/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h1,12-13H
InChI Key:
WEVLRLRJXYBSLM-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1Br)F)F)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.797g/mol
Monoisotopic Mass:
253.936g/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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