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Home > Boronic Acids > 874219-31-5
874219-31-5 | (4-Fluoro-3-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS No: 874219-31-5 Catalog No: AG004MY2 MDL No:MFCD08235050
Product Description
Catalog Number:
AG004MY2
Chemical Name:
(4-Fluoro-3-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS Number:
874219-31-5
Molecular Formula:
C11H13BFNO3
Molecular Weight:
237.0352
MDL Number:
MFCD08235050
IUPAC Name:
[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BFNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
InChI Key:
AOICJNUBSAKHMW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)N1CCCC1)F)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.037g/mol
Monoisotopic Mass:
237.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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