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Home > Boronic Acids > 747413-18-9
747413-18-9 | (3-(4-METHYLPIPERAZIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER
CAS No: 747413-18-9 Catalog No: AG01DJXB MDL No:MFCD10698509
Product Description
Catalog Number:
AG01DJXB
Chemical Name:
(3-(4-METHYLPIPERAZIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER
CAS Number:
747413-18-9
Molecular Formula:
C17H29BN2O3
Molecular Weight:
320.2348
MDL Number:
MFCD10698509
IUPAC Name:
1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-7-6-8-15(13-14)20-11-9-19(5)10-12-20/h6-8,13H,9-12H2,1-5H3
InChI Key:
DCWPPXDQCNZIEI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)B(OC(C(O)(C)C)(C)C)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.217g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.225g/mol
Monoisotopic Mass:
302.217g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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