COC1=C(C2=CC=CC=C2C=C1C(=O)OC)I
CAS: 263387-94-6
名称: methyl 4-iodo-3-methoxynaphthalene-2-carboxylate
SMILES: COC1=C(C2=CC=CC=C2C=C1C(=O)OC)I

Molecular 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: DUKITTOPGOXMLL-UHFFFAOYSA-N
同義語
Methyl 3-methoxy-4-iodo-2-naphthoate263387-94-6SCHEMBL6234692DUKITTOPGOXMLL-UHFFFAOYSA-NDB-297958
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