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Home > Boronic Acids > 850864-59-4
850864-59-4 | (5-Bromo-2-methoxypyridin-3-yl);boronic acid
CAS No: 850864-59-4 Catalog No: AG004OOC MDL No:MFCD04973352
Product Description
Catalog Number:
AG004OOC
Chemical Name:
(5-Bromo-2-methoxypyridin-3-yl);boronic acid
CAS Number:
850864-59-4
Molecular Formula:
C6H7BBrNO3
Molecular Weight:
231.8397
MDL Number:
MFCD04973352
IUPAC Name:
(5-bromo-2-methoxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H7BBrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3
InChI Key:
KIMPFSRSIJTVLK-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1B(O)O)Br
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.84g/mol
Monoisotopic Mass:
230.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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