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

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CAS
877264-77-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM877264772

Product Name

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

Structure

Structure

CAS

877264-77-2

Category

Bromine Series

Synonyms

tert-Butyl 6-bromo-1H-indazole-1-carboxylate

IUPAC Name

tert-butyl 6-bromoindazole-1-carboxylate

Molecular Weight

297.1507

Molecular Formula

C₁₂H₁₃BrN₂O₂

Canonical 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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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