CC1=C(C=CC(=C1)C(=O)C)OCCCBr
Name: 1-[4-(3-bromopropoxy)-3-methylphenyl]ethanone
SMILES: CC1=C(C=CC(=C1)C(=O)C)OCCCBr

Molecular Processing

Molecular formula
C12H15BrO2
Molecular weight
271.15
Exact mass
270.0255
XLogP
3.36
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
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
0.417
Molar refractivity
65.09

Supplementary Information

InChIKey: NTHACHBLQYGXLE-UHFFFAOYSA-N
Synonyme
SCHEMBL1544980NTHACHBLQYGXLE-UHFFFAOYSA-N1-[4-(3-bromopropoxy)-3-methylphenyl]ethanon1-[4-(3-bromopropoxy)3-methylphenyl]ethanone1-[4-(3bromopropoxy)-3-methylphenyl]ethanone1-[4-(3-bromopropoxy)-3- methylphenyl]ethanone1-[4-(3-bromopropoxy)-3-methylphenyl]-ethanone1-[4-(3-bromopropoxy)-3-methylphenyl]ethanone1-[4-(3-bromopropoxy)-3-methylphenyl]- ethanone
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