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Home > Boronic Acids > 940284-98-0
940284-98-0 | tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CAS No: 940284-98-0 Catalog No: AG00IHXD MDL No:MFCD07781250
Product Description
Catalog Number:
AG00IHXD
Chemical Name:
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CAS Number:
940284-98-0
Molecular Formula:
C19H31BN4O4
Molecular Weight:
390.2848
MDL Number:
MFCD07781250
IUPAC Name:
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C19H31BN4O4/c1-17(2,3)26-16(25)24-10-8-23(9-11-24)15-21-12-14(13-22-15)20-27-18(4,5)19(6,7)28-20/h12-13H,8-11H2,1-7H3
InChI Key:
YODSUBUWTUTLAZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.244g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.291g/mol
Monoisotopic Mass:
390.244g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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