CCOC(=O)C(CC(C)C)C1=CC(=C(C(=C1)Br)O)Cl
Название: ethyl 2-(3-bromo-5-chloro-4-hydroxyphenyl)-4-methylpentanoate
SMILES: CCOC(=O)C(CC(C)C)C1=CC(=C(C(=C1)Br)O)Cl

Molecular Processing

Molecular formula
C14H18BrClO3
Molecular weight
349.65
Exact mass
348.0128
XLogP
4.5
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.65

Supplementary Information

InChIKey: WYGMZYQUYXMPSQ-UHFFFAOYSA-N
Синонимы
SCHEMBL3659623WYGMZYQUYXMPSQ-UHFFFAOYSA-Nethyl 2-(3-bromo-5-chloro-4-hydroxyphenyl)-4-methylpentanoate
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