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18818-44-5 | 2H-1,2,4-Benzothiadiazine, 3-phenyl-, 1,1-dioxide
CAS No: 18818-44-5 Catalog No: AG002GQX MDL No:
Product Description
Catalog Number:
AG002GQX
Chemical Name:
2H-1,2,4-Benzothiadiazine, 3-phenyl-, 1,1-dioxide
CAS Number:
18818-44-5
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
IUPAC Name:
3-phenyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C13H10N2O2S/c16-18(17)12-9-5-4-8-11(12)14-13(15-18)10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChI Key:
ICMHQCLNBVNFDV-UHFFFAOYSA-N
SMILES:
O=S1(=O)NC(=Nc2c1cccc2)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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