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Home > Boronic Acids > 957035-13-1
957035-13-1 | (2-Bromo-6-ethoxyphenyl);boronic acid
CAS No: 957035-13-1 Catalog No: AG003BLY MDL No:MFCD09475869
Product Description
Catalog Number:
AG003BLY
Chemical Name:
(2-Bromo-6-ethoxyphenyl);boronic acid
CAS Number:
957035-13-1
Molecular Formula:
C8H10BBrO3
Molecular Weight:
244.8782
MDL Number:
MFCD09475869
IUPAC Name:
(2-bromo-6-ethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5,11-12H,2H2,1H3
InChI Key:
ASWKELCQKXPWGQ-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1B(O)O)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.879g/mol
Monoisotopic Mass:
243.991g/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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