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Home > Boronic Acids > 1256358-59-4
1256358-59-4 | Boronic acid, B-[3-(4-thiomorpholinylmethyl)phenyl]-
CAS No: 1256358-59-4 Catalog No: AG000O5N MDL No:MFCD14687174
Product Description
Catalog Number:
AG000O5N
Chemical Name:
Boronic acid, B-[3-(4-thiomorpholinylmethyl)phenyl]-
CAS Number:
1256358-59-4
Molecular Formula:
C11H16BNO2S
Molecular Weight:
237.1262
MDL Number:
MFCD14687174
IUPAC Name:
[3-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO2S/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2
InChI Key:
UBNZLWFFSWDGTG-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CN1CCSCC1)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.124g/mol
Monoisotopic Mass:
237.099g/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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