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Home > Boronic Acids > 870718-00-6
870718-00-6 | (3-Bromo-2-ethoxy-5-methylphenyl)boronic acid
CAS No: 870718-00-6 Catalog No: AG003J0B MDL No:MFCD05664336
Product Description
Catalog Number:
AG003J0B
Chemical Name:
(3-Bromo-2-ethoxy-5-methylphenyl)boronic acid
CAS Number:
870718-00-6
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD05664336
IUPAC Name:
(3-bromo-2-ethoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-3-14-9-7(10(12)13)4-6(2)5-8(9)11/h4-5,12-13H,3H2,1-2H3
InChI Key:
BTBLZNZUELXCOT-UHFFFAOYSA-N
SMILES:
CCOc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.906g/mol
Monoisotopic Mass:
258.006g/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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