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CAS 915095-86-2

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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 Formula	C₁₃H₇ClFIO
Molecular Weight	360.55 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	359.92142 g/mol
Monoisotopic Mass	359.92142 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1