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101063-93-8 | 2H-1,2,4-Benzothiadiazine-3-propanoic acid, 5,7-dichloro-, 1,1-dioxide
CAS No: 101063-93-8 Catalog No: AG0003NN MDL No:
Product Description
Catalog Number:
AG0003NN
Chemical Name:
2H-1,2,4-Benzothiadiazine-3-propanoic acid, 5,7-dichloro-, 1,1-dioxide
CAS Number:
101063-93-8
Molecular Formula:
C10H8Cl2N2O4S
Molecular Weight:
323.1525
IUPAC Name:
3-(5,7-dichloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanoic acid
InChI:
InChI=1S/C10H8Cl2N2O4S/c11-5-3-6(12)10-7(4-5)19(17,18)14-8(13-10)1-2-9(15)16/h3-4H,1-2H2,(H,13,14)(H,15,16)
InChI Key:
VXEJBKDPUCPSQC-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=Nc2c(Cl)cc(cc2S(=O)(=O)N1)Cl
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.958g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.144g/mol
Monoisotopic Mass:
321.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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