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Home > Boronic Acids > 1247001-29-1
1247001-29-1 | Piperazine, 1-cyclohexyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1247001-29-1 Catalog No: AG01F3K6 MDL No:
Product Description
Catalog Number:
AG01F3K6
Chemical Name:
Piperazine, 1-cyclohexyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1247001-29-1
Molecular Formula:
C22H35BN2O2
Molecular Weight:
370.3365
IUPAC Name:
1-cyclohexyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C22H35BN2O2/c1-21(2)22(3,4)27-23(26-21)18-10-12-20(13-11-18)25-16-14-24(15-17-25)19-8-6-5-7-9-19/h10-13,19H,5-9,14-17H2,1-4H3
InChI Key:
ZSSSCGRMCICPAG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCN(CC1)C1CCCCC1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.279g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.344g/mol
Monoisotopic Mass:
370.279g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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