COC(=O)C1=CC=CC=C1I
CAS: 610-97-9
Name: methyl 2-iodobenzoate
SMILES: COC(=O)C1=CC=CC=C1I

Molecular Processing

Molecular formula
C8H7IO2
Molecular weight
262.05
Exact mass
261.9491
XLogP
2.08
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.5

Supplementary Information

InChIKey: BXXLTVBTDZXPTN-UHFFFAOYSA-N
Synonyme
Methyl 2-iodobenzoate610-97-92-Iodobenzoic acid methyl esterMethyl o-iodobenzoateBenzoic acid, 2-iodo-, methyl esterBenzoic acid, o-iodo-, methyl esterHCW7KL2LZNEINECS 210-243-6NSC 34638NSC-34638AI3-11097DTXSID7060594RefChem:565656DTXCID6042941Benzoic acid, o-iodo-, methyl ester (8CI)210-243-6Methyl-2-iodobenzoateMFCD000163512-Iodo-Benzoic Acid Methyl EsterMETHYL2-IODOBENZOATEmethyl 2-iodo-benzoateUNII-HCW7KL2LZNMontelukast Impurity N27SCHEMBL63699Methyl 2-iodobenzoate, 97%SCHEMBL5746537SCHEMBL5746540SCHEMBL6970015BXXLTVBTDZXPTN-UHFFFAOYSA-o-Iodobenzoic acid, methyl ester
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