1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-4-fluoro-1-methylindazole

2.1.2 InChI

InChI=1S/C8H6BrFN2/c1-12-7-3-2-6(9)8(10)5(7)4-11-12/h2-4H,1H3

2.1.3 InChI Key

ANLXRMBQONDZBQ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1784678-61-0

2. 5-bromo-4-fluoro-1-methylindazole

3. Mfcd30475009

4. 5-bromo-4-fluoro-1-methyl-indazole

5. 1h-indazole, 5-bromo-4-fluoro-1-methyl-

6. Schembl4526748

7. 5-bromo-4-fluoro-1-methylindazole?

8. Sy280652

9. F77894

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrFN₂
Molecular Weight	229.05 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	17.8
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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 1784678-61-0