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1000575-53-0 | 3-Bromo-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole
CAS No: 1000575-53-0 Catalog No: AG01F84T MDL No:
Product Description
Catalog Number:
AG01F84T
Chemical Name:
3-Bromo-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole
CAS Number:
1000575-53-0
Molecular Formula:
C12H7BrN2O2S2
Molecular Weight:
355.2302
IUPAC Name:
3-bromo-5-naphthalen-2-ylsulfonyl-1,2,4-thiadiazole
InChI:
InChI=1S/C12H7BrN2O2S2/c13-11-14-12(18-15-11)19(16,17)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChI Key:
MHQAJPTVDUEOOJ-UHFFFAOYSA-N
SMILES:
Brc1nsc(n1)S(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.913g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.224g/mol
Monoisotopic Mass:
353.913g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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