CC(C)(C(=O)C1=CC=C(C=C1)OCC(=O)OC)Br
Nombre: methyl 2-[4-(2-bromo-2-methylpropanoyl)phenoxy]acetate
SMILES: CC(C)(C(=O)C1=CC=C(C=C1)OCC(=O)OC)Br

Molecular Processing

Molecular formula
C13H15BrO4
Molecular weight
315.16
Exact mass
314.0154
XLogP
2.59
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.29

Supplementary Information

InChIKey: NEGYCRJQBCFVBM-UHFFFAOYSA-N
Sinónimos
SCHEMBL7327533NEGYCRJQBCFVBM-UHFFFAOYSA-NMethyl 4-(2,2-dimethylbromoacetyl)phenoxyacetatemethyl 4-(2,2-dimethylbromoacetyl)-phenoxyacetatemethyl 4-(2-bromo-2,2-dimethylacetyl)phenoxyacetate
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