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Home > Boronic Acids > 1229442-51-6
1229442-51-6 | 1-(3-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)pyrrolidine
CAS No: 1229442-51-6 Catalog No: AG009YGP MDL No:MFCD28384349
Product Description
Catalog Number:
AG009YGP
Chemical Name:
1-(3-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)pyrrolidine
CAS Number:
1229442-51-6
Molecular Formula:
C19H30BNO3
Molecular Weight:
331.2574
MDL Number:
MFCD28384349
IUPAC Name:
1-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]pyrrolidine
InChI:
InChI=1S/C19H30BNO3/c1-18(2)19(3,4)24-20(23-18)16-9-7-10-17(15-16)22-14-8-13-21-11-5-6-12-21/h7,9-10,15H,5-6,8,11-14H2,1-4H3
InChI Key:
FTSYPIBWYVWQLG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)OCCCN1CCCC1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.232g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.263g/mol
Monoisotopic Mass:
331.232g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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