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Home > Boronic Acids > 470478-90-1
470478-90-1 | tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine-1-carboxylate
CAS No: 470478-90-1 Catalog No: AG003K29 MDL No:MFCD06411544
Product Description
Catalog Number:
AG003K29
Chemical Name:
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine-1-carboxylate
CAS Number:
470478-90-1
Molecular Formula:
C21H33BN2O4
Molecular Weight:
388.3087
MDL Number:
MFCD06411544
IUPAC Name:
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-14-12-23(13-15-24)17-10-8-16(9-11-17)22-27-20(4,5)21(6,7)28-22/h8-11H,12-15H2,1-7H3
InChI Key:
ZMAVVXGWEHZLDW-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.253g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.315g/mol
Monoisotopic Mass:
388.253g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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