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20358-05-8 | 2-Benzothiazolamine, 7-bromo-
CAS No: 20358-05-8 Catalog No: AG00290G MDL No:MFCD11110957
Product Description
Catalog Number:
AG00290G
Chemical Name:
2-Benzothiazolamine, 7-bromo-
CAS Number:
20358-05-8
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
MDL Number:
MFCD11110957
IUPAC Name:
7-bromo-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChI Key:
YHKASBDRJLTLHH-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)c(Br)ccc2
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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