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Home > Bromides > 1194056-22-8
1194056-22-8 | 1-Propanone, 1-(2-bromo-5-thiazolyl)-
CAS No: 1194056-22-8 Catalog No: AG000IPX MDL No:
Product Description
Catalog Number:
AG000IPX
Chemical Name:
1-Propanone, 1-(2-bromo-5-thiazolyl)-
CAS Number:
1194056-22-8
Molecular Formula:
C6H6BrNOS
Molecular Weight:
220.0869
IUPAC Name:
1-(2-bromo-1,3-thiazol-5-yl)propan-1-one
InChI:
InChI=1S/C6H6BrNOS/c1-2-4(9)5-3-8-6(7)10-5/h3H,2H2,1H3
InChI Key:
JJHJKPZSLFWWKN-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cnc(s1)Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.935g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.084g/mol
Monoisotopic Mass:
218.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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