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1000574-71-9 | 3-Bromo-5-(2-chlorocyclohexylsulfonyl)-1,2,4-thiadiazole
CAS No: 1000574-71-9 Catalog No: AG01F7DT MDL No:
Product Description
Catalog Number:
AG01F7DT
Chemical Name:
3-Bromo-5-(2-chlorocyclohexylsulfonyl)-1,2,4-thiadiazole
CAS Number:
1000574-71-9
Molecular Formula:
C8H10BrClN2O2S2
Molecular Weight:
345.6642
IUPAC Name:
3-bromo-5-(2-chlorocyclohexyl)sulfonyl-1,2,4-thiadiazole
InChI:
InChI=1S/C8H10BrClN2O2S2/c9-7-11-8(15-12-7)16(13,14)6-4-2-1-3-5(6)10/h5-6H,1-4H2
InChI Key:
PBXPVILTDIJDCR-UHFFFAOYSA-N
SMILES:
ClC1CCCCC1S(=O)(=O)c1snc(n1)Br
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.906g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.654g/mol
Monoisotopic Mass:
343.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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