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99769-26-3 | 1-(4-Bromothiophen-2-yl)-2-methylpropan-1-one
CAS No: 99769-26-3 Catalog No: AG004X84 MDL No:
Product Description
Catalog Number:
AG004X84
Chemical Name:
1-(4-Bromothiophen-2-yl)-2-methylpropan-1-one
CAS Number:
99769-26-3
Molecular Formula:
C8H9BrOS
Molecular Weight:
233.1255
IUPAC Name:
1-(4-bromothiophen-2-yl)-2-methylpropan-1-one
InChI:
InChI=1S/C8H9BrOS/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,1-2H3
InChI Key:
YAPFNUJUXXYWDO-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1scc(c1)Br)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.956g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.123g/mol
Monoisotopic Mass:
231.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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