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60374-42-7

60374-42-7 | 1H-2,1,3-Benzothiadiazin-4(3H)-one,6-hydroxy-3-(1-methylethyl)-, 2,2-dioxide

CAS No: 60374-42-7 Catalog No: AG0038LV MDL No:

Product Description

Catalog Number:
AG0038LV
Chemical Name:
1H-2,1,3-Benzothiadiazin-4(3H)-one,6-hydroxy-3-(1-methylethyl)-, 2,2-dioxide
CAS Number:
60374-42-7
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
IUPAC Name:
6-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
InChI:
InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)8-5-7(13)3-4-9(8)11-17(12,15)16/h3-6,11,13H,1-2H3
InChI Key:
PVKWIOBXPPFARA-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2cc(O)ccc2NS1(=O)=O)C
EC Number:
611-966-3

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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