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859199-06-7 | Ethanone,1-(5-bromo-4-methyl-2-thienyl)-
CAS No: 859199-06-7 Catalog No: AG004WLR MDL No:MFCD11110667
Product Description
Catalog Number:
AG004WLR
Chemical Name:
Ethanone,1-(5-bromo-4-methyl-2-thienyl)-
CAS Number:
859199-06-7
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
MDL Number:
MFCD11110667
IUPAC Name:
1-(5-bromo-4-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H7BrOS/c1-4-3-6(5(2)9)10-7(4)8/h3H,1-2H3
InChI Key:
KQZYEQHMHCHZKP-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(s1)Br)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.096g/mol
Monoisotopic Mass:
217.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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