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Home > Boronic Acids > 874219-40-6
874219-40-6 | (3-Fluoro-5-(morpholine-4-carbonyl)phenyl)boronic acid
CAS No: 874219-40-6 Catalog No: AG004MY0 MDL No:MFCD08235057
Product Description
Catalog Number:
AG004MY0
Chemical Name:
(3-Fluoro-5-(morpholine-4-carbonyl)phenyl)boronic acid
CAS Number:
874219-40-6
Molecular Formula:
C11H13BFNO4
Molecular Weight:
253.0346
MDL Number:
MFCD08235057
IUPAC Name:
[3-fluoro-5-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BFNO4/c13-10-6-8(5-9(7-10)12(16)17)11(15)14-1-3-18-4-2-14/h5-7,16-17H,1-4H2
InChI Key:
JTGJWGMJQRLWIY-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)B(O)O)C(=O)N1CCOCC1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.036g/mol
Monoisotopic Mass:
253.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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