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Home > Boronic Acids > 957060-94-5
957060-94-5 | (5-Bromo-2-methoxypyridin-4-yl);boronic acid
CAS No: 957060-94-5 Catalog No: AG006BSE MDL No:MFCD07781223
Product Description
Catalog Number:
AG006BSE
Chemical Name:
(5-Bromo-2-methoxypyridin-4-yl);boronic acid
CAS Number:
957060-94-5
Molecular Formula:
C6H7BBrNO3
Molecular Weight:
231.8397
MDL Number:
MFCD07781223
IUPAC Name:
(5-bromo-2-methoxypyridin-4-yl)boronic acid
InChI:
InChI=1S/C6H7BBrNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
InChI Key:
ZNJUFOAOSUTWIG-UHFFFAOYSA-N
SMILES:
COc1ncc(c(c1)B(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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