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Home > Boronic Acids > 1416721-79-3
1416721-79-3 | 2-Chloro-4-formylpyridine-5-boronic acid pinacol ester
CAS No: 1416721-79-3 Catalog No: AG00HW5P MDL No:MFCD18718156
Product Description
Catalog Number:
AG00HW5P
Chemical Name:
2-Chloro-4-formylpyridine-5-boronic acid pinacol ester
CAS Number:
1416721-79-3
Molecular Formula:
C12H15BClNO3
Molecular Weight:
267.5164
MDL Number:
MFCD18718156
IUPAC Name:
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbaldehyde
InChI:
InChI=1S/C12H15BClNO3/c1-11(2)12(3,4)18-13(17-11)9-6-15-10(14)5-8(9)7-16/h5-7H,1-4H3
InChI Key:
XQDJQRYJJHGRTJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ncc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.516g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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