CC(=O)C1=C(C=C(C=C1)Br)O
CAS: 30186-18-6
Name: 1-(4-bromo-2-hydroxyphenyl)ethanone
SMILES: CC(=O)C1=C(C=C(C=C1)Br)O

Molecular Processing

Molecular formula
C8H7BrO2
Molecular weight
215.05
Exact mass
213.9629
XLogP
2.36
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
0.125
Molar refractivity
45.81

Supplementary Information

InChIKey: LQCMMXGKEGWUIM-UHFFFAOYSA-N
Synonyme
1-(4-Bromo-2-hydroxyphenyl)ethan-1-oneRefChem:424882835-464-030186-18-61-(4-bromo-2-hydroxyphenyl)ethanone4'-Bromo-2'-hydroxyacetophenone4-Bromo-2-HydroxyacetophenoneMFCD034285331-(4-bromo-2-hydroxy-phenyl)ethanoneETHANONE, 1-(4-BROMO-2-HYDROXYPHENYL)-2-Acetyl-5-bromophenol1-(4-Bromo-2-hydroxy-phenyl)-ethanoneSCHEMBL55915CHEMBL5276969SCHEMBL29433676DTXSID80444029LQCMMXGKEGWUIM-UHFFFAOYSA-N1-acetyl-4-bromo-2-hydroxybenzeneSTK820367AKOS002229507AB15427CS-W003081FB14188FS-31321-(4-bromo-2-hydroxyphenyl)-1-ethanoneAC-27121SY026364B5382ST45208840EN300-53247
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