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1379324-86-3 | 1,2-Benzisothiazol-3-amine, 6-bromo-
CAS No: 1379324-86-3 Catalog No: AG00145C MDL No:
Product Description
Catalog Number:
AG00145C
Chemical Name:
1,2-Benzisothiazol-3-amine, 6-bromo-
CAS Number:
1379324-86-3
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
IUPAC Name:
6-bromo-1,2-benzothiazol-3-amine
InChI:
InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChI Key:
YQRGJKVMKDCMBJ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)snc2N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.936g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.095g/mol
Monoisotopic Mass:
227.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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