1-(benzyloxy)-2,4-dichloro-5-iodobenzene
- Iupac Name：1,5-dichloro-2-iodo-4-phenylmethoxybenzene
- CAS No.: 847560-51-4
- Molecular Weight：379.018
- Modify Date.: 2022-11-23 09:59
1. Names and Identifiers
- 1.1 Name
- 1-(benzyloxy)-2,4-dichloro-5-iodobenzene
- 1.2 Synonyms
1-(benzyloxy)-2,4-dichloro-5-iodobenzene
- 1.3 CAS No.
- 847560-51-4
- 1.4 CID
- 44220505
- 1.5 Molecular Formula
- C13H9Cl2IO (isomer)
- 1.6 Inchi
- InChI=1S/C13H9Cl2IO/c14-10-6-11(15)13(7-12(10)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
- 1.7 InChIkey
- FDIUWZQGMDBWDJ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC=C(C=C1)COC2=CC(=C(C=C2Cl)Cl)I
- 1.9 Isomers Smiles
- C1=CC=C(C=C1)COC2=CC(=C(C=C2Cl)Cl)I
2. Properties
- 2.1 Density
- 1.721±0.06 g/cm3 (20 oC 760 Torr)
- 2.1 PSA
- 9.23000
- 2.1 logP
- 5.17700
3. Computational chemical data
- Molecular Weight: 379.018g/mol
- Molecular Formula: C13H9Cl2IO
- Compound Is Canonicalized: True
- XLogP3-AA: 5.3
- Exact Mass: 377.90752
- Monoisotopic Mass: 377.90752
- Complexity: 234
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 9.2
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwIAAGAgAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIgAAAADAaimCIwBoAABACAAiBCAAACCAAgJUAIiAAGC4gMJiOFMxqCOCCkwBEIqAeAwCAOACAAAACACAAAQAAAAQAQAAAAAAAAAA==
4. Recommended Suppliers
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- Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
- Tel:86-21-61723543
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5. Realated Product Infomation
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