Home Carboxys 7-nitro-2,1,3-benzothiadiazole-5-carboxylic acid

7-nitro-2,1,3-benzothiadiazole-5-carboxylic acid

CAS No.:
1427380-00-4
Catalog Number:
AG01A470
Molecular Formula:
C7H3N3O4S
Molecular Weight:
225.1814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A470
Chemical Name:
7-nitro-2,1,3-benzothiadiazole-5-carboxylic acid
CAS Number:
1427380-00-4
Molecular Formula:
C7H3N3O4S
Molecular Weight:
225.1814
MDL Number:
MFCD23144266
IUPAC Name:
4-nitro-2,1,3-benzothiadiazole-6-carboxylic acid
InChI:
InChI=1S/C7H3N3O4S/c11-7(12)3-1-4-6(9-15-8-4)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key:
CQVWKJISSWKGQX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1nsn2)C(=O)O
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.178g/mol
Monoisotopic Mass:
224.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties