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Home > Boronic Acids > 1218790-21-6
1218790-21-6 | Methanone, 1-pyrrolidinyl[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS No: 1218790-21-6 Catalog No: AG001696 MDL No:MFCD15143600
Product Description
Catalog Number:
AG001696
Chemical Name:
Methanone, 1-pyrrolidinyl[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS Number:
1218790-21-6
Molecular Formula:
C16H23BN2O3
Molecular Weight:
302.1764
MDL Number:
MFCD15143600
IUPAC Name:
pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanone
InChI:
InChI=1S/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)13-9-12(10-18-11-13)14(20)19-7-5-6-8-19/h9-11H,5-8H2,1-4H3
InChI Key:
DVGPHVSHYIYXFC-UHFFFAOYSA-N
SMILES:
O=C(c1cncc(c1)B1OC(C(O1)(C)C)(C)C)N1CCCC1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.181g/mol
Monoisotopic Mass:
302.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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