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828243-38-5 | 2H-1,2,4-Benzothiadiazine, 3-chloro-6,7,8-trimethoxy-, 1,1-dioxide
CAS No: 828243-38-5 Catalog No: AG004XRI MDL No:
Product Description
Catalog Number:
AG004XRI
Chemical Name:
2H-1,2,4-Benzothiadiazine, 3-chloro-6,7,8-trimethoxy-, 1,1-dioxide
CAS Number:
828243-38-5
Molecular Formula:
C10H11ClN2O5S
Molecular Weight:
306.7227
IUPAC Name:
3-chloro-6,7,8-trimethoxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C10H11ClN2O5S/c1-16-6-4-5-9(8(18-3)7(6)17-2)19(14,15)13-10(11)12-5/h4H,1-3H3,(H,12,13)
InChI Key:
QCPWSNSCALYTPF-UHFFFAOYSA-N
SMILES:
COc1cc2N=C(Cl)NS(=O)(=O)c2c(c1OC)OC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.008g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.717g/mol
Monoisotopic Mass:
306.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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