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Home > Boronic Acids > 874219-29-1
874219-29-1 | (4-Fluoro-3-(morpholine-4-carbonyl);phenyl);boronic acid
CAS No: 874219-29-1 Catalog No: AG004MY4 MDL No:MFCD08235048
Product Description
Catalog Number:
AG004MY4
Chemical Name:
(4-Fluoro-3-(morpholine-4-carbonyl);phenyl);boronic acid
CAS Number:
874219-29-1
Molecular Formula:
C11H13BFNO4
Molecular Weight:
253.0346
MDL Number:
MFCD08235048
IUPAC Name:
[4-fluoro-3-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BFNO4/c13-10-2-1-8(12(16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChI Key:
DLQOQRNXQBBPSO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)N1CCOCC1)F)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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