CC(=O)C1=CC=C(S1)Br
CAS: 5370-25-2
Name: 1-(5-bromothiophen-2-yl)ethanone
SMILES: CC(=O)C1=CC=C(S1)Br

Molecular Processing

Molecular formula
C6H5BrOS
Molecular weight
205.08
Exact mass
203.9244
XLogP
2.71
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
42.02

Supplementary Information

InChIKey: IGBZCOWXSCWSHO-UHFFFAOYSA-N
Synonyme
2-Acetyl-5-bromothiophene1-(5-bromothiophen-2-yl)ethanoneEthanone, 1-(5-bromo-2-thienyl)-1-(5-Bromo-2-thienyl)ethan-1-one1-(5-Bromo-2-thienyl)ethanone5-Bromo-2-thienyl methyl ketone2-bromo-5-acetylthiopheneJU7V7ZQ7VDKetone, 5-bromo-2-thienyl methylEINECS 226-363-7NSC-803665-Bromo 2-acetylthiopheneIGBZCOWXSCWSHO-UHFFFAOYSA-DTXSID70201961NSC 80366RefChem:84978DTXCID00124452IGBZCOWXSCWSHO-UHFFFAOYSA-NInChI=1/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H35370-25-21-(5-bromothiophen-2-yl)ethan-1-oneMFCD000145281-(5-bromo-thiophen-2-yl)-ethanoneF2182-01412-Acetyl-5-bromo thiophene5-Bromo-2-acetylthiopheneNSC80366UNII-JU7V7ZQ7VDBIDD:GT0135SCHEMBL345568
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