C1=CC(=CC=C1C(C(=O)OCC2=CC(=C(C=C2)Cl)Cl)O)OCC3=CC(=C(C=C3)Cl)Cl
CAS: 1187061-82-0
الاسم: (3,4-dichlorophenyl)methyl 2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-hydroxyacetate
SMILES: C1=CC(=CC=C1C(C(=O)OCC2=CC(=C(C=C2)Cl)Cl)O)OCC3=CC(=C(C=C3)Cl)Cl

Molecular Processing

Molecular formula
C22H16Cl4O4
Molecular weight
486.18
Exact mass
483.9803
XLogP
6.66
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
118.45

Supplementary Information

InChIKey: FAUNAKACKIAHCD-UHFFFAOYSA-N
مرادفات
1187061-82-03,4-Dichlorobenzyl 2-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-hydroxyacetateSCHEMBL1151128FAUNAKACKIAHCD-UHFFFAOYSA-NF530473,4-Dichlorobenzyl2-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-hydroxyacetate[4-(3,4-dichloro-benzyloxy)-phenyl]-hydroxy-acetic acid 3,4-dichloro-benzyl ester2-[4-(3,4-Dichloro-benzyloxy)-phenyl]-2-hydroxy-acetic acid 3,4-dichloro-benzyl ester
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