CC(=O)CC1=CC(=CC=C1)Br
CAS: 21906-32-1
Name: 1-(3-bromophenyl)propan-2-one
SMILES: CC(=O)CC1=CC(=CC=C1)Br

Molecular Processing

Molecular formula
C9H9BrO
Molecular weight
213.07
Exact mass
211.9837
XLogP
2.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.53

Supplementary Information

InChIKey: FQIZFAJMBXZVOL-UHFFFAOYSA-N
Synonyme
1-(3-bromophenyl)propan-2-oneRefChem:423472876-200-43-Bromophenylacetone21906-32-11-(3-bromophenyl)-2-propanoneMFCD002104001-(3-bromophenyl)acetone2-Propanone, 1-(3-bromophenyl)-3-bromophenyl acetone(3-Bromophenyl)acetoneSCHEMBL6098933-B​romophenylacetoneSCHEMBL27583682DTXSID00370119FQIZFAJMBXZVOL-UHFFFAOYSA-N1-(3-bromo-phenyl)propan-2-oneCS-B0132CL8856SBB005833AKOS005255665DS-2105FB68090SY106643ST50406067EN300-110257Z513735382
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