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Home > Boronic Acids > 1217501-42-2
1217501-42-2 | Boronic acid, B-[5-chloro-2-(2-methylpropoxy)-3-pyridinyl]-
CAS No: 1217501-42-2 Catalog No: AG0015T8 MDL No:MFCD13195663
Product Description
Catalog Number:
AG0015T8
Chemical Name:
Boronic acid, B-[5-chloro-2-(2-methylpropoxy)-3-pyridinyl]-
CAS Number:
1217501-42-2
Molecular Formula:
C9H13BClNO3
Molecular Weight:
229.4684
MDL Number:
MFCD13195663
IUPAC Name:
[5-chloro-2-(2-methylpropoxy)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H13BClNO3/c1-6(2)5-15-9-8(10(13)14)3-7(11)4-12-9/h3-4,6,13-14H,5H2,1-2H3
InChI Key:
RMJKPMVBIIUTRL-UHFFFAOYSA-N
SMILES:
CC(COc1ncc(cc1B(O)O)Cl)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.467g/mol
Monoisotopic Mass:
229.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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