1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone

2.1.2 InChI

InChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H

2.1.3 InChI Key

LVILQFKAGQFQEK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)Cl)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 915095-85-1

2. (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone

3. Schembl2637828

4. Amy39947

5. Mfcd12410140

6. Zinc34775740

7. Akos005831751

8. Bs-17834

9. Db-120590

10. Cs-0162265

11. D84028

12. (5-bromo-2-chlorophenyl)(4-fluorophenyl) Methanone

13. Methanone, (5-bromo-2-chlorophenyl)(4-fluorophenyl)-

2.3 Create Date

2007-02-21

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₇BrClFO
Molecular Weight	313.55 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	311.93528 g/mol
Monoisotopic Mass	311.93528 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

(5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone