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CAS 915095-86-2
Also known as: 915095-86-2, (2-chloro-5-iodophenyl)-(4-fluorophenyl)methanone, (2-chloro-5-iodo-phenyl)-(4-fluoro-phenyl)-methanone, Methanone, (2-chloro-5-iodophenyl)(4-fluorophenyl)-, (2-chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone, Ec 619-596-4
Molecular Formula
C13H7ClFIO
Molecular Weight
360.55  g/mol
InChI Key
KNYGUQLVFSPVRI-UHFFFAOYSA-N

1 2D Structure

CAS 915095-86-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-chloro-5-iodophenyl)-(4-fluorophenyl)methanone
2.1.2 InChI
InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H
2.1.3 InChI Key
KNYGUQLVFSPVRI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)I)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 915095-86-2

2. (2-chloro-5-iodophenyl)-(4-fluorophenyl)methanone

3. (2-chloro-5-iodo-phenyl)-(4-fluoro-phenyl)-methanone

4. Methanone, (2-chloro-5-iodophenyl)(4-fluorophenyl)-

5. (2-chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone

6. Ec 619-596-4

7. Schembl2638961

8. Dtxsid301045098

9. Bcp12333

10. Mfcd22665920

11. Zinc34775738

12. Akos024464565

13. Ds-7777

14. Cs-0006692

15. A860348

2.3 Create Date
2007-02-21
3 Chemical and Physical Properties
Molecular Weight 360.55 g/mol
Molecular Formula C13H7ClFIO
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass359.92142 g/mol
Monoisotopic Mass359.92142 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.
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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.
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