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20358-03-6 | 2-Benzothiazolamine, 5-bromo-
CAS No: 20358-03-6 Catalog No: AG00290H MDL No:MFCD00577806
Product Description
Catalog Number:
AG00290H
Chemical Name:
2-Benzothiazolamine, 5-bromo-
CAS Number:
20358-03-6
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
MDL Number:
MFCD00577806
IUPAC Name:
5-bromo-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChI Key:
ZPUJTWBWSOOMRP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(s2)N
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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