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175204-24-7 | 2,1,3-Benzothiadiazole, 6-bromo-4,5-dimethyl-
CAS No: 175204-24-7 Catalog No: AG0020LD MDL No:MFCD00126470
Product Description
Catalog Number:
AG0020LD
Chemical Name:
2,1,3-Benzothiadiazole, 6-bromo-4,5-dimethyl-
CAS Number:
175204-24-7
Molecular Formula:
C8H7BrN2S
Molecular Weight:
243.1236
MDL Number:
MFCD00126470
IUPAC Name:
6-bromo-4,5-dimethyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C8H7BrN2S/c1-4-5(2)8-7(3-6(4)9)10-12-11-8/h3H,1-2H3
InChI Key:
GSQBGCGYACPACL-UHFFFAOYSA-N
SMILES:
Brc1cc2nsnc2c(c1C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.122g/mol
Monoisotopic Mass:
241.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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