COC1=C(C2=CC=CC(=C2C=C1)C#N)I
CAS: 103604-48-4
Название: 5-iodo-6-methoxynaphthalene-1-carbonitrile
SMILES: COC1=C(C2=CC=CC(=C2C=C1)C#N)I

Molecular Processing

Molecular formula
C12H8INO
Molecular weight
309.11
Exact mass
308.9651
XLogP
3.32
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
67.93

Supplementary Information

InChIKey: DHMJKHNLPGQGDX-UHFFFAOYSA-N
Синонимы
103604-48-45-iodo-6-methoxynaphthalene-1-carbonitrile5-Iodo-6-methoxy-1-naphthonitrileSCHEMBL9806325DTXSID90559178
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