CAS: 84532-68-3
名称: methyl 5-iodo-6-methoxynaphthalene-1-carboxylate
SMILES:
COC1=C(C2=C(C=C1)C(=CC=C2)C(=O)OC)IMolecular Processing
Molecular formula
C13H11IO3
Molecular weight
342.13
Exact mass
341.9753
XLogP
3.24
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
74.56
Supplementary Information
InChIKey: OVJOQRHZXHGGSK-UHFFFAOYSA-N
同義語
Methyl 5-iodo-6-methoxynaphthalene-1-carboxylate84532-68-3DTXSID20546359RefChem:356112DTXCID50497143SCHEMBL9827014OVJOQRHZXHGGSK-UHFFFAOYSA-N5-Iodo-6-methoxy-1-naphthalenecarboxylic Acid Methyl Ester
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