CAS: 549494-34-0
名称: methyl 2-chloro-3-[4-[2-(4-phenylmethoxyphenoxy)ethyl]phenyl]propanoate
SMILES:
COC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OCC3=CC=CC=C3)ClMolecular Processing
Molecular formula
C25H25ClO4
Molecular weight
424.92
Exact mass
424.1441
XLogP
5.21
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
118.22
Supplementary Information
InChIKey: VGVAIIWKMAEMBP-UHFFFAOYSA-N
同義語
methyl 3-(4-(2-[4-(benzyloxy)phenoxy]ethyl)phenyl)-2-chloropropanoateMethyl 3-(4-{2-[4-(benzyloxy)phenoxy]ethyl}phenyl)-2-chloropropanoateSCHEMBL3939992VGVAIIWKMAEMBP-UHFFFAOYSA-N549494-34-0DB-326585
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