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Home > Boronic Acids > 850568-26-2
850568-26-2 | (4-(Thiazol-2-ylcarbamoyl);phenyl)boronic acid
CAS No: 850568-26-2 Catalog No: AG0036DH MDL No:MFCD06659877
Product Description
Catalog Number:
AG0036DH
Chemical Name:
(4-(Thiazol-2-ylcarbamoyl);phenyl)boronic acid
CAS Number:
850568-26-2
Molecular Formula:
C10H9BN2O3S
Molecular Weight:
248.0661
MDL Number:
MFCD06659877
IUPAC Name:
[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H9BN2O3S/c14-9(13-10-12-5-6-17-10)7-1-3-8(4-2-7)11(15)16/h1-6,15-16H,(H,12,13,14)
InChI Key:
PXEKEOLNPCSWKZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1nccs1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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