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Home > Boronic Acids > 1256360-38-9
1256360-38-9 | Pyrrolidine, 1-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
CAS No: 1256360-38-9 Catalog No: AG000O7H MDL No:MFCD17214292
Product Description
Catalog Number:
AG000O7H
Chemical Name:
Pyrrolidine, 1-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
CAS Number:
1256360-38-9
Molecular Formula:
C17H25BFNO2
Molecular Weight:
305.1953
MDL Number:
MFCD17214292
IUPAC Name:
1-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
InChI:
InChI=1S/C17H25BFNO2/c1-16(2)17(3,4)22-18(21-16)14-9-7-8-13(15(14)19)12-20-10-5-6-11-20/h7-9H,5-6,10-12H2,1-4H3
InChI Key:
QNJZSSCPNOKEAJ-UHFFFAOYSA-N
SMILES:
Fc1c(cccc1B1OC(C(O1)(C)C)(C)C)CN1CCCC1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.196g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.2g/mol
Monoisotopic Mass:
305.196g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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