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Home > Boronic Acids > 874299-00-0
874299-00-0 | N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide
CAS No: 874299-00-0 Catalog No: AG00IEKL MDL No:
Product Description
Catalog Number:
AG00IEKL
Chemical Name:
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide
CAS Number:
874299-00-0
Molecular Formula:
C17H25BN2O3
Molecular Weight:
316.2030
IUPAC Name:
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
InChI:
InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-8-7-9-14(12-13)19-15(21)20-10-5-6-11-20/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21)
InChI Key:
LIBQKFGWCHHULK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.196g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.208g/mol
Monoisotopic Mass:
316.196g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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