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Home > Nitro Compounds > 73676-88-7
73676-88-7 | 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide
CAS No: 73676-88-7 Catalog No: AG005BZE MDL No:
Product Description
Catalog Number:
AG005BZE
Chemical Name:
2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide
CAS Number:
73676-88-7
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
IUPAC Name:
3-(3-nitrophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C13H9N3O4S/c17-16(18)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)21(19,20)15-13/h1-8H,(H,14,15)
InChI Key:
OLNXOMLQDYVLSZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1=Nc2ccccc2S(=O)(=O)N1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.292g/mol
Monoisotopic Mass:
303.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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