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Home > Boronic Acids > 1359974-18-7
1359974-18-7 | tert-butyl3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate
CAS No: 1359974-18-7 Catalog No: AG00HUFG MDL No:MFCD22570722
Product Description
Catalog Number:
AG00HUFG
Chemical Name:
tert-butyl3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate
CAS Number:
1359974-18-7
Molecular Formula:
C18H30BN3O4
Molecular Weight:
363.2595
MDL Number:
MFCD22570722
IUPAC Name:
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H30BN3O4/c1-16(2,3)24-15(23)21-9-8-14(12-21)22-11-13(10-20-22)19-25-17(4,5)18(6,7)26-19/h10-11,14H,8-9,12H2,1-7H3
InChI Key:
IGWFVUAHNXWIFY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.233g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.265g/mol
Monoisotopic Mass:
363.233g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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