2-tert-Butyl-5-nitro-1H-indole-7-carboxylic acid

Name: 2-tert-Butyl-5-nitro-1H-indole-7-carboxylic acid
SKU: ACM952664992
Rating: 5 (1 reviews)

CAS

952664-99-2

Catalog Number

ACM952664992

Category

Other Products

Molecular Weight

262.261260 [g/mol]

Molecular Formula

C₁₃H₁₄N₂O₄

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CAS
952664-99-2
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96%
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Specification

Synonyms

952664-99-2, 2-TERT-BUTYL-5-NITRO-1H-INDOLE-7-CARBOXYLIC ACID, SureCN1465571, CTK3I6541, AG-H-92415, KB-232244, A845263, 1H-Indole-7-carboxylicacid, 2-(1,1-dimethylethyl)-5-nitro-

IUPAC Name

2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid

Canonical SMILES

CC(C)(C)C1=CC2=CC(=CC(=C2N1)C(=O)O)[N+](=O)[O-]

InChI Key

ZXRVTTQBJADJPU-UHFFFAOYSA-N

Exact Mass

262.09500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C13H14N2O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 262.26 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H14N2O4/c1-13(2,3)10-5-7-4-8(15(18)19)6-9(12(16)17)11(7)14-10/h4-6,14H,1-3H3,(H,16,17).

What is the InChIKey of the compound?

The InChIKey of the compound is ZXRVTTQBJADJPU-UHFFFAOYSA-N.

What are some synonyms of the compound?

Some synonyms of the compound are 2-TERT-BUTYL-5-NITRO-1H-INDOLE-7-CARBOXYLIC ACID, 952664-99-2, SCHEMBL1465571, and DTXSID00697752.

What is the CAS number of the compound?

The CAS number of the compound is 952664-99-2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.1.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many heavy atoms are present in the compound?

The compound has 19 heavy atoms.

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