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199804-81-4 | Ethanone, 2-bromo-1-(2-thiazolyl)-, hydrobromide (1:1)
CAS No: 199804-81-4 Catalog No: AG002CCY MDL No:MFCD08056654
Product Description
Catalog Number:
AG002CCY
Chemical Name:
Ethanone, 2-bromo-1-(2-thiazolyl)-, hydrobromide (1:1)
CAS Number:
199804-81-4
Molecular Formula:
C5H5Br2NOS
Molecular Weight:
286.9723
MDL Number:
MFCD08056654
IUPAC Name:
2-bromo-1-(1,3-thiazol-2-yl)ethanone;hydrobromide
InChI:
InChI=1S/C5H4BrNOS.BrH/c6-3-4(8)5-7-1-2-9-5;/h1-2H,3H2;1H
InChI Key:
HLJSDOINJDEVKV-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nccs1.Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.844g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.969g/mol
Monoisotopic Mass:
284.846g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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