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Home > Boronic Acids > 1334171-29-7
1334171-29-7 | [3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CAS No: 1334171-29-7 Catalog No: AG01DTPV MDL No:
Product Description
Catalog Number:
AG01DTPV
Chemical Name:
[3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CAS Number:
1334171-29-7
Molecular Formula:
C11H15BFNO2S
Molecular Weight:
255.1167
IUPAC Name:
[3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO2S/c13-11-7-10(12(15)16)2-1-9(11)8-14-3-5-17-6-4-14/h1-2,7,15-16H,3-6,8H2
InChI Key:
RVUUKKSHFHMIJV-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1CN1CCSCC1)B(O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.114g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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