Home Aminos 3-amino-6-nitro-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride

3-amino-6-nitro-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride

CAS No.:
1797564-61-4
Catalog Number:
AG01ABYB
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
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Product Description
Catalog Number:
AG01ABYB
Chemical Name:
3-amino-6-nitro-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride
CAS Number:
1797564-61-4
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
MDL Number:
MFCD26935983
IUPAC Name:
6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
InChI:
InChI=1S/C8H8N2O4S.ClH/c9-7-4-15(13,14)8-3-5(10(11)12)1-2-6(7)8;/h1-3,7H,4,9H2;1H
InChI Key:
GBBNLSCCFUSIKW-UHFFFAOYSA-N
SMILES:
NC1CS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-].Cl
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties