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28681-49-4 | 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dimethyl-
CAS No: 28681-49-4 Catalog No: AG002W2K MDL No:
Product Description
Catalog Number:
AG002W2K
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dimethyl-
CAS Number:
28681-49-4
Molecular Formula:
C8H6Br2N2S
Molecular Weight:
322.0196
IUPAC Name:
4,7-dibromo-5,6-dimethyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C8H6Br2N2S/c1-3-4(2)6(10)8-7(5(3)9)11-13-12-8/h1-2H3
InChI Key:
IATHBZGHKIVBGB-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(Br)c2c(c1Br)nsn2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.86g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.018g/mol
Monoisotopic Mass:
319.862g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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