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Also known as: 1784678-61-0, 5-bromo-4-fluoro-1-methylindazole, Mfcd30475009, 5-bromo-4-fluoro-1-methyl-indazole, 1h-indazole, 5-bromo-4-fluoro-1-methyl-, Schembl4526748
Molecular Formula
C8H6BrFN2
Molecular Weight
229.05  g/mol
InChI Key
ANLXRMBQONDZBQ-UHFFFAOYSA-N

CAS 1784678-61-0
1 2D Structure

CAS 1784678-61-0

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 Weight 229.05 g/mol
Molecular Formula C8H6BrFN2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.8
Heavy Atom Count12
Formal Charge0
Complexity178
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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