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Structure

6-Bromo-5-fluoro-1-methyl-1H-indazole

CAS
1286734-86-8
Catalog Number
ACM1286734868
Category
Bromine Series
Molecular Weight
229.049043 [g/mol]
Molecular Formula
C8H6BrFN2

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Specification

Synonyms
6-Bromo-5-fluoro-1-methyl-1H-indazole, 1286734-86-8, JSPY-st000145, MolPort-016-582-075, 6-bromo-5-fluoro-1-methylindazole, AKOS015898540, AK127170, KB-82193, I10-0796
IUPAC Name
6-bromo-5-fluoro-1-methylindazole
InChI Key
YLZKXJRVDISQRH-UHFFFAOYSA-N
Exact Mass
227.97000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?

The molecular formula is C8H6BrFN2.

What is the molecular weight of the compound?

The molecular weight is 229.05 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 6-bromo-5-fluoro-1-methylindazole.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

The InChIKey is YLZKXJRVDISQRH-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1C2=CC(=C(C=C2C=N1)F)Br.

What is the CAS number of the compound?

The CAS number is 1286734-86-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.4.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

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