CCOC(=O)C1=CC=C(C=C1)I
CAS: 51934-41-9
Nombre: ethyl 4-iodobenzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)I

Molecular Processing

Molecular formula
C9H9IO2
Molecular weight
276.07
Exact mass
275.9647
XLogP
2.47
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
0.222
Molar refractivity
55.12

Supplementary Information

InChIKey: YCBJOQUNPLTBGG-UHFFFAOYSA-N
Sinónimos
Ethyl 4-iodobenzoate51934-41-9DTXSID004931152J05H935TDTXCID5029267YCBJOQUNPLTBGG-UHFFFAOYSA-BENZOIC ACID, 4-IODO-, ETHYLESTERRefChem:595453429-550-3610-760-0InChI=1/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3p-Iodobenzoic acid ethyl ester4-Iodobenzoic Acid Ethyl Ester4-iodo-benzoic acid ethyl esterBenzoic acid, 4-iodo-, ethyl esterMFCD00017344ethyl p-iodobenzoateETHYL4-IODOBENZOATEethyl-4-iodobenzoateUNII-52J05H935Tethyl-4 iodobenzoateEthyl,4-iodobenzoateethyl 4-iodo-benzoateethyl-4-iodo-benzoateEthyl -4-iodobenzoate4-Carbethoxyphenyl iodidepara-carbethoxy iodo-benzeneEthyl 4-iodobenzoate, 97%SCHEMBL2039594-(Ethoxycarbonyl)phenyl iodide
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