1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-1-ethenyl-2-fluorobenzene

2.1.2 InChI

InChI=1S/C8H6BrF/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2

2.1.3 InChI Key

UTDQHQCPWHTKLM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CC1=C(C=C(C=C1)Br)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 627463-17-6

2. 4-bromo-2-fluorostyrene

3. 4-bromo-1-ethenyl-2-fluorobenzene

4. Schembl1051454

5. Dtxsid10586562

6. 4-bromo-2-fluoro-1-vinyl-benzene

7. Mfcd09907860

8. Zinc71790221

9. Akos013152968

10. At36275

11. Ps-8210

12. Cs-0454378

13. A1-09416

2.3 Create Date

2007-08-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrF
Molecular Weight	201.04 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199.96369 g/mol
Monoisotopic Mass	199.96369 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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

CAS 627463-17-6