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Home > Boronic Acids > 1217501-41-1
1217501-41-1 | Boronic acid, B-[5-chloro-2-(1-methylethoxy)-3-pyridinyl]-
CAS No: 1217501-41-1 Catalog No: AG0015T9 MDL No:MFCD13195662
Product Description
Catalog Number:
AG0015T9
Chemical Name:
Boronic acid, B-[5-chloro-2-(1-methylethoxy)-3-pyridinyl]-
CAS Number:
1217501-41-1
Molecular Formula:
C8H11BClNO3
Molecular Weight:
215.4418
MDL Number:
MFCD13195662
IUPAC Name:
(5-chloro-2-propan-2-yloxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H11BClNO3/c1-5(2)14-8-7(9(12)13)3-6(10)4-11-8/h3-5,12-13H,1-2H3
InChI Key:
NMVYPCNDMPTZQR-UHFFFAOYSA-N
SMILES:
CC(Oc1ncc(cc1B(O)O)Cl)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.44g/mol
Monoisotopic Mass:
215.052g/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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