Home Other Building Blocks BENZOFUROXAN-5-CARBOXYLIC ACID

BENZOFUROXAN-5-CARBOXYLIC ACID

CAS No.:
6086-24-4
Catalog Number:
AG003O28
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003O28
Chemical Name:
BENZOFUROXAN-5-CARBOXYLIC ACID
CAS Number:
6086-24-4
MDL Number:
MFCD00068056
IUPAC Name:
1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid
InChI:
InChI=1S/C7H4N2O4/c10-7(11)4-1-2-6-5(3-4)8-13-9(6)12/h1-3H,(H,10,11)
InChI Key:
AXRCJZJVVZUOHN-UHFFFAOYSA-N
NSC Number:
343748
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.119g/mol
Monoisotopic Mass:
180.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties