CAS: 920509-16-6
이름: 2-[3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-methylphenyl]acetic acid
SMILES:
CC1=CC(=CC(=C1OC2=NN=C(C(=C2)C(C)C)Cl)Cl)CC(=O)OMolecular Processing
Molecular formula
C16H16Cl2N2O3
Molecular weight
355.22
Exact mass
354.0538
XLogP
4.63
TPSA
72.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
88.73
Supplementary Information
InChIKey: LPZXGINEXUCOBC-UHFFFAOYSA-N
동의어
SCHEMBL2923821LPZXGINEXUCOBC-UHFFFAOYSA-NDB-089505[3-Chloro-4-(6-chloro-5-isopropyl-pyridazin-3-yloxy)-5-methyl-phenyl]-acetic acid920509-16-6
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