CC(=O)Oc1cc(C)c(Br)c(C)c1
Название: (4-bromo-3,5-dimethylphenyl) acetate
SMILES: CC(=O)Oc1cc(C)c(Br)c(C)c1

Molecular Processing

Molecular formula
C10H11BrO2
Molecular weight
243.1
Exact mass
241.9942
XLogP
2.99
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
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
0.3
Molar refractivity
54.93

Supplementary Information

InChIKey: OWDYCYFEJANVCQ-UHFFFAOYSA-N
Синонимы
SCHEMBL204814SCHEMBL3925908OWDYCYFEJANVCQ-UHFFFAOYSA-N4-bromo-3,5-dimethylphenyl acetateInChI=1/C10H11BrO2/c1-6-4-9(13-8(3)12)5-7(2)10(6)11/h4-5H,1-3H
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