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Home > Boronic Acids > 870778-87-3
870778-87-3 | (2-Ethoxy-4,5-difluorophenyl);boronic acid
CAS No: 870778-87-3 Catalog No: AG003KHS MDL No:MFCD07784347
Product Description
Catalog Number:
AG003KHS
Chemical Name:
(2-Ethoxy-4,5-difluorophenyl);boronic acid
CAS Number:
870778-87-3
Molecular Formula:
C8H9BF2O3
Molecular Weight:
201.9631
MDL Number:
MFCD07784347
IUPAC Name:
(2-ethoxy-4,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BF2O3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key:
DIDGIGNOIJJEGJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)c(cc1B(O)O)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.964g/mol
Monoisotopic Mass:
202.061g/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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