Tert-butyl 6-bromo-1H-indazole-1-carboxylate

• CAS: 877264-77-2
• Catalog Number: ACM877264772
• Category: Bromine Series
• Molecular Weight: 297.1507
• Molecular Formula: C₁₂H₁₃BrN₂O₂
• Synonyms: tert-Butyl 6-bromo-1H-indazole-1-carboxylate
• IUPAC Name: tert-butyl 6-bromoindazole-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1
• InChI Key: XAKCDPNWVLWUEP-UHFFFAOYSA-N
• Boiling Point: 377ºC
• Flash Point: 182ºC
• Density: 1.46
• Exact Mass: 296.01600
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The molecular formula is C12H13BrN2O2.

What is the molecular weight of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The molecular weight is 297.15 g/mol.

When was tert-butyl 6-bromo-1H-indazole-1-carboxylate created?

It was created on May 29, 2009.

What is the IUPAC name of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The IUPAC name is tert-butyl 6-bromoindazole-1-carboxylate.

What is the InChI of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The InChI is InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3.

What is the InChIKey of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The InChIKey is XAKCDPNWVLWUEP-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The canonical SMILES is CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1.

What is the CAS number of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The CAS number is 877264-77-2.

What is the XLogP3-AA value of tert-butyl 6-bromo-1H-indazole-1-carboxylate?

The XLogP3-AA value is 3.5.

Is tert-butyl 6-bromo-1H-indazole-1-carboxylate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 79762-54-2
• 24424-99-5

• 877264-77-2

Reference: [1] Patent: WO2012/37298, 2012, A1, . Location in patent: Page/Page column 49

Upstream Synthesis Route 2

• 79762-54-2
• 24424-99-5

• 877264-77-2

Reference: [1]Patent: WO2012/37298,2012,A1 .Location in patent: Page/Page column 49

Downstream Synthesis Route 1

• 877264-77-2
• 73183-34-3

• 890839-29-9

Reference: [1]Patent: WO2012/37298,2012,A1 .Location in patent: Page/Page column 49

* For details of the synthesis route, please refer to the original source to ensure accuracy.