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Home > Boronic Acids > 1251566-87-6
1251566-87-6 | 7H-Pyrrolo[2,3-d]pyrimidin-4-ylboronic acid pinacol ester
CAS No: 1251566-87-6 Catalog No: AG00HI4D MDL No:
Product Description
Catalog Number:
AG00HI4D
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-ylboronic acid pinacol ester
CAS Number:
1251566-87-6
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-8-5-6-14-10(8)16-7-15-9/h5-7H,1-4H3,(H,14,15,16)
InChI Key:
GQNXOOZYSPLKMN-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.089g/mol
Monoisotopic Mass:
245.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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