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Home > Boronic Acids > 612845-45-1
612845-45-1 | (3-BROMO-5-METHOXY-4-PYRIDINYL)BORONIC ACID
CAS No: 612845-45-1 Catalog No: AG00EKOU MDL No:MFCD11040271
Product Description
Catalog Number:
AG00EKOU
Chemical Name:
(3-BROMO-5-METHOXY-4-PYRIDINYL)BORONIC ACID
CAS Number:
612845-45-1
Molecular Formula:
C6H7BBrNO3
Molecular Weight:
231.8397
MDL Number:
MFCD11040271
IUPAC Name:
(3-bromo-5-methoxypyridin-4-yl)boronic acid
InChI:
InChI=1S/C6H7BBrNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3,10-11H,1H3
InChI Key:
OXIFBQMTJUAUNR-UHFFFAOYSA-N
SMILES:
COc1cncc(c1B(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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