Primary record
methyl 3-iodo-4-isopropylbenzoate
- CAS
- 100127-58-0
- PubChem CID
- 15792959
- SMILES
- CC(C)C1=C(C=C(C=C1)C(=O)OC)I
- Molecular Formula
- C11H13IO2
- Molecular Weight
- 304.127
- Exact Mass
- 303.996
- InChI
- InChI=1S/C11H13IO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3
- InChIKey
- VIUQYXQVBWXXBV-UHFFFAOYSA-N
- LogP
- 3.2012
- TPSA
- 26.3
Names and synonyms
- methyl 3-iodo-4-isopropylbenzoate
- 100127-58-0
- Methyl3-iodo-4-isopropylbenzoate
- SCHEMBL31291734
- C11H13IO2
- CTK8E1955
- DTXSID80578373
- TQP0796
- methyl 3-iodo-4-propan-2-ylbenzoate
- methyl 3-iodo-4-isopropyl-benzoate
- methyl3-iodo-4-propan-2-ylbenzoate
- Methyl 3-iodo-4-(propan-2-yl)benzoate
- MFCD11112911
- ZINC39951750
- AKOS015852342
- methyl 3-iodanyl-4-propan-2-yl-benzoate
- AJ-100832
- DB-058303
- TC-067082
- FT-0658771
- Benzoic acid, 3-iodo-4-(1-methylethyl)-, methyl ester
- G63198
- EN300-6730302
- A800050
- I14-5516