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Home > Boronic Acids > 870717-99-0
870717-99-0 | (3-Bromo-2-methoxy-5-methylphenyl)boronic acid
CAS No: 870717-99-0 Catalog No: AG003J33 MDL No:MFCD04974110
Product Description
Catalog Number:
AG003J33
Chemical Name:
(3-Bromo-2-methoxy-5-methylphenyl)boronic acid
CAS Number:
870717-99-0
Molecular Formula:
C8H10BBrO3
Molecular Weight:
244.8782
MDL Number:
MFCD04974110
IUPAC Name:
(3-bromo-2-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChI Key:
WHQCYDMSPACJBE-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
168
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:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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