名称: methyl 1-(iodomethyl)cyclohexane-1-carboxylate
SMILES:
COC(=O)C1(CCCCC1)CIMolecular Processing
Molecular formula
C9H15IO2
Molecular weight
282.12
Exact mass
282.0117
XLogP
2.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
56.42
Supplementary Information
InChIKey: TYNCRRCGIUIVJX-UHFFFAOYSA-N
同義語
methyl 1-(iodomethyl)cyclohexanecarboxylateSCHEMBL3293624TYNCRRCGIUIVJX-UHFFFAOYSA-NMethyl 1-iodomethylcyclohexanecarboxylate1-Iodomethylcyclohexanecarboxylic acid methyl ester1-Iodomethyl-cyclohexanecarboxylic acid methyl ester
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