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Home > Boronic Acids > 1486485-42-0
1486485-42-0 | 2-Fluoro--5-pyrrolidinomethylphenylboronic acid, pinacol ester
CAS No: 1486485-42-0 Catalog No: AG00HXNC MDL No:MFCD19237191
Product Description
Catalog Number:
AG00HXNC
Chemical Name:
2-Fluoro--5-pyrrolidinomethylphenylboronic acid, pinacol ester
CAS Number:
1486485-42-0
Molecular Formula:
C17H25BFNO2
Molecular Weight:
305.1953
MDL Number:
MFCD19237191
IUPAC Name:
1-[[4-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)14-11-13(7-8-15(14)19)12-20-9-5-6-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3
InChI Key:
HZWWLSXNGSJJFI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1B1OC(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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