Home Carboxys 1,2,3-benzoxadiazole-7-carboxylic acid

1,2,3-benzoxadiazole-7-carboxylic acid

CAS No.:
1546503-21-2
Catalog Number:
AG01C27B
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
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Product Description
Catalog Number:
AG01C27B
Chemical Name:
1,2,3-benzoxadiazole-7-carboxylic acid
CAS Number:
1546503-21-2
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD26722680
IUPAC Name:
1,2,3-benzoxadiazole-7-carboxylic acid
InChI:
InChI=1S/C7H4N2O3/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)
InChI Key:
SOGCLHMYYWFZIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1onn2
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties