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Home > Boronic Acids > 850567-37-2

850567-37-2

850567-37-2 | (3-(Thiomorpholine-4-carbonyl)phenyl)boronic acid

CAS No: 850567-37-2 Catalog No: AG004PCG MDL No:MFCD06659887

Product Description

Catalog Number:
AG004PCG
Chemical Name:
(3-(Thiomorpholine-4-carbonyl)phenyl)boronic acid
CAS Number:
850567-37-2
Molecular Formula:
C11H14BNO3S
Molecular Weight:
251.1098
MDL Number:
MFCD06659887
IUPAC Name:
[3-(thiomorpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H14BNO3S/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
InChI Key:
KBUOGQLZRICCMV-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)N1CCSCC1

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.107g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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