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21132-59-2 | 2H-1,2,4-Benzothiadiazine, 6,7-dichloro-3-(3-cyclopenten-1-yl)-, 1,1-dioxide
CAS No: 21132-59-2 Catalog No: AG002LAO MDL No:
Product Description
Catalog Number:
AG002LAO
Chemical Name:
2H-1,2,4-Benzothiadiazine, 6,7-dichloro-3-(3-cyclopenten-1-yl)-, 1,1-dioxide
CAS Number:
21132-59-2
Molecular Formula:
C12H10Cl2N2O2S
Molecular Weight:
317.1910
IUPAC Name:
6,7-dichloro-3-cyclopent-3-en-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C12H10Cl2N2O2S/c13-8-5-10-11(6-9(8)14)19(17,18)16-12(15-10)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)
InChI Key:
NXRJFNBTRPERHV-UHFFFAOYSA-N
SMILES:
Clc1cc2N=C(NS(=O)(=O)c2cc1Cl)C1CC=CC1
EC Number:
244-232-2
UNII:
QZE8T5D680
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.184g/mol
Monoisotopic Mass:
315.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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