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Home > Boronic Acids > 1451391-05-1
1451391-05-1 | (5-chloro-2-isopropoxypyridin-4-yl)boronic acid
CAS No: 1451391-05-1 Catalog No: AG01DE02 MDL No:MFCD23713140
Product Description
Catalog Number:
AG01DE02
Chemical Name:
(5-chloro-2-isopropoxypyridin-4-yl)boronic acid
CAS Number:
1451391-05-1
Molecular Formula:
C8H11BClNO3
Molecular Weight:
215.4418
MDL Number:
MFCD23713140
IUPAC Name:
(5-chloro-2-propan-2-yloxypyridin-4-yl)boronic acid
InChI:
InChI=1S/C8H11BClNO3/c1-5(2)14-8-3-6(9(12)13)7(10)4-11-8/h3-5,12-13H,1-2H3
InChI Key:
FJEIVDNZELQFNO-UHFFFAOYSA-N
SMILES:
OB(c1cc(OC(C)C)ncc1Cl)O
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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