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20434-66-6 | 2H-1,2,4-Benzothiadiazine, 3-(phenylmethyl)-, 1,1-dioxide
CAS No: 20434-66-6 Catalog No: AG0029G8 MDL No:
Product Description
Catalog Number:
AG0029G8
Chemical Name:
2H-1,2,4-Benzothiadiazine, 3-(phenylmethyl)-, 1,1-dioxide
CAS Number:
20434-66-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
3-benzyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C14H12N2O2S/c17-19(18)13-9-5-4-8-12(13)15-14(16-19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key:
KSFSESCYVXQCAU-UHFFFAOYSA-N
SMILES:
O=S1(=O)NC(=Nc2c1cccc2)Cc1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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