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Home > Boronic Acids > 1217501-26-2
1217501-26-2 | Boronic acid, B-[5-fluoro-2-(4-morpholinylcarbonyl)phenyl]-
CAS No: 1217501-26-2 Catalog No: AG0015SE MDL No:MFCD12913944
Product Description
Catalog Number:
AG0015SE
Chemical Name:
Boronic acid, B-[5-fluoro-2-(4-morpholinylcarbonyl)phenyl]-
CAS Number:
1217501-26-2
Molecular Formula:
C11H13BFNO4
Molecular Weight:
253.0346
MDL Number:
MFCD12913944
IUPAC Name:
[5-fluoro-2-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BFNO4/c13-8-1-2-9(10(7-8)12(16)17)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChI Key:
XSMRDMHBUWMLBL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(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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