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1073371-73-9

1073371-73-9 | 4-[Hydroxy(2-thiazolyl)methyl)]benzeneboronic acid pinacol ester

CAS No: 1073371-73-9 Catalog No: AG00909K MDL No:MFCD09953504

Product Description

Catalog Number:
AG00909K
Chemical Name:
4-[Hydroxy(2-thiazolyl)methyl)]benzeneboronic acid pinacol ester
CAS Number:
1073371-73-9
Molecular Formula:
C16H20BNO3S
Molecular Weight:
317.2109
MDL Number:
MFCD09953504
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
InChI:
InChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13(19)14-18-9-10-22-14/h5-10,13,19H,1-4H3
InChI Key:
WLBDZEXNSNOBAQ-UHFFFAOYSA-N
SMILES:
OC(c1nccs1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.126g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.21g/mol
Monoisotopic Mass:
317.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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