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1000289-40-6 | 2-BenzothiazolaMine, 5,7-dibroMo-
CAS No: 1000289-40-6 Catalog No: AG0000BQ MDL No:
Product Description
Catalog Number:
AG0000BQ
Chemical Name:
2-BenzothiazolaMine, 5,7-dibroMo-
CAS Number:
1000289-40-6
Molecular Formula:
C7H4Br2N2S
Molecular Weight:
307.9931
IUPAC Name:
5,7-dibromo-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H4Br2N2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChI Key:
NBNMHIGTHJFJAH-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)nc(s2)N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.844g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.991g/mol
Monoisotopic Mass:
305.846g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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