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Home > Boronic Acids > 1008119-70-7

1008119-70-7

1008119-70-7 | 3-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid, 97%

CAS No: 1008119-70-7 Catalog No: AG00902E MDL No:MFCD20265298

Product Description

Catalog Number:
AG00902E
Chemical Name:
3-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid, 97%
CAS Number:
1008119-70-7
Molecular Formula:
C11H13BFNO4
Molecular Weight:
253.0346
MDL Number:
MFCD20265298
IUPAC Name:
[3-fluoro-4-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BFNO4/c13-10-7-8(12(16)17)1-2-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChI Key:
PCOQCLUJTVPMSY-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C(=O)N1CCOCC1)B(O)O

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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