200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 820214-19-5
820214-19-5 | 2H-1,2,4-Benzothiadiazin-3(4H)-one, 5-methoxy-7-nitro-, 1,1-dioxide
CAS No: 820214-19-5 Catalog No: AG004YFZ MDL No:
Product Description
Catalog Number:
AG004YFZ
Chemical Name:
2H-1,2,4-Benzothiadiazin-3(4H)-one, 5-methoxy-7-nitro-, 1,1-dioxide
CAS Number:
820214-19-5
Molecular Formula:
C8H7N3O6S
Molecular Weight:
273.2227
IUPAC Name:
5-methoxy-7-nitro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
InChI:
InChI=1S/C8H7N3O6S/c1-17-5-2-4(11(13)14)3-6-7(5)9-8(12)10-18(6,15)16/h2-3H,1H3,(H2,9,10,12)
InChI Key:
WNQJEGXTWBZCMR-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1NC(=O)NS2(=O)=O)[N+](=O)[O-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.219g/mol
Monoisotopic Mass:
273.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.