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Home > Boronic Acids > 1451391-80-2
1451391-80-2 | 5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl
CAS No: 1451391-80-2 Catalog No: AG00HXDL MDL No:MFCD21332940
Product Description
Catalog Number:
AG00HXDL
Chemical Name:
5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl
CAS Number:
1451391-80-2
Molecular Formula:
C11H16BClFNO3
Molecular Weight:
275.5120
MDL Number:
MFCD21332940
IUPAC Name:
[5-fluoro-2-(morpholin-4-ylmethyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C11H15BFNO3.ClH/c13-10-2-1-9(11(7-10)12(15)16)8-14-3-5-17-6-4-14;/h1-2,7,15-16H,3-6,8H2;1H
InChI Key:
PMNHTRQBVOIROF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)CN1CCOCC1.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.511g/mol
Monoisotopic Mass:
275.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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