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175920-97-5 | 3-Allylbenzo[d]thiazol-2(3H)-imine hydrobromide
CAS No: 175920-97-5 Catalog No: AG01FMZT MDL No:MFCD22587727
Product Description
Catalog Number:
AG01FMZT
Chemical Name:
3-Allylbenzo[d]thiazol-2(3H)-imine hydrobromide
CAS Number:
175920-97-5
Molecular Formula:
C10H11BrN2S
Molecular Weight:
271.1767
MDL Number:
MFCD22587727
IUPAC Name:
3-prop-2-enyl-1,3-benzothiazol-2-imine;hydrobromide
InChI:
InChI=1S/C10H10N2S.BrH/c1-2-7-12-8-5-3-4-6-9(8)13-10(12)11;/h2-6,11H,1,7H2;1H
InChI Key:
BNEZJKNWEOOXCE-UHFFFAOYSA-N
SMILES:
C=CCn1c(=N)sc2c1cccc2.Br
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.983g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.176g/mol
Monoisotopic Mass:
269.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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