Cas no 67460-10-0 (BENZOIC ACID, 2-IODO-, PHENYLMETHYL ESTER)
67460-10-0 structure
Product Name:BENZOIC ACID, 2-IODO-, PHENYLMETHYL ESTER
CAS No:67460-10-0
MF:C14H11IO2
MW:338.140416383743
CID:3387354
PubChem ID:12413309
Update Time:2025-04-21
BENZOIC ACID, 2-IODO-, PHENYLMETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- BENZOIC ACID, 2-IODO-, PHENYLMETHYL ESTER
- benzyl 2-iodobenzoate
- UKBDDEPFPQQLBR-UHFFFAOYSA-N
- SCHEMBL4007621
- 67460-10-0
- MFCD22690666
-
- Inchi： 1S/C14H11IO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key： UKBDDEPFPQQLBR-UHFFFAOYSA-N
- SMILES： C(OCC1=CC=CC=C1)(=O)C1=CC=CC=C1I
Computed Properties
- Exact Mass: 337.98038Da
- Monoisotopic Mass: 337.98038Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.609±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.033 g/l) (25 o C),
BENZOIC ACID, 2-IODO-, PHENYLMETHYL ESTER Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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