COC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)Cl
CAS: 549494-31-7
الاسم: methyl 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate
SMILES: COC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)Cl

Molecular Processing

Molecular formula
C19H21ClO6S
Molecular weight
412.89
Exact mass
412.0747
XLogP
2.97
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
102.92

Supplementary Information

InChIKey: KLPJPXUNMRBICU-UHFFFAOYSA-N
مرادفات
methyl 2-chloro-3-[4-(2-(4-[(methylsulfonyl)oxy]phenoxy)ethyl)phenyl]propanoateMethyl 2-chloro-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoateSCHEMBL3941341KLPJPXUNMRBICU-UHFFFAOYSA-N549494-31-7DB-308229
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