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Home > Boronic Acids > 612845-46-2
612845-46-2 | (5-Bromo-2-ethoxypyridin-4-yl);boronic acid
CAS No: 612845-46-2 Catalog No: AG003BXO MDL No:MFCD07783887
Product Description
Catalog Number:
AG003BXO
Chemical Name:
(5-Bromo-2-ethoxypyridin-4-yl);boronic acid
CAS Number:
612845-46-2
Molecular Formula:
C7H9BBrNO3
Molecular Weight:
245.8663
MDL Number:
MFCD07783887
IUPAC Name:
(5-bromo-2-ethoxypyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H9BBrNO3/c1-2-13-7-3-5(8(11)12)6(9)4-10-7/h3-4,11-12H,2H2,1H3
InChI Key:
RLPXRCAGOQMYBN-UHFFFAOYSA-N
SMILES:
CCOc1ncc(c(c1)B(O)O)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.867g/mol
Monoisotopic Mass:
244.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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