Benzeneacetic acid,a-[(3,5-dinitrobenzoyl)amino]-,(as)-

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CAS
90761-62-9
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Purity
96%
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Catalog Number

ACM90761629

Product Name

Benzeneacetic acid,a-[(3,5-dinitrobenzoyl)amino]-,(as)-

Structure

Structure

CAS

90761-62-9

Category

Heterocyclic Organic Compound

Synonyms

S-(+)-N-(3,5-Dinitrobenzoyl)phenylglycine, 90761-62-9, AC1OCXR9, 276294_ALDRICH, MolPort-003-929-007, AKOS015888884, N-3,5-Dinitrobenzoyl-L-phenyl glycine, K806, FT-0642183, N-(3,5-Dinitrobenzoyl)-L-|A-phenylglycine, N-(3,5-Dinitrobenzoyl)-L-alpha-phenylglycine, (S)-(+)-N-(3,5-Dinitrobenzoyl)phenylglycine, (S)-(+)-N-(3,5-Dinitrobenzoyl)-|A-phenylglycine, (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine, I01-16726, (2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid

IUPAC Name

(2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid

Molecular Weight

345.26

Molecular Formula

C₁₅H₁₁N₃O₇

Canonical SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI Key

MIVUDAUOXJDARR-ZDUSSCGKSA-N

Boiling Point

569.4ºC at 760mmHg

Melting Point

218-220ºC(lit.)

Flash Point

298.2ºC

Density

1.527g/cm³

Exact Mass

345.06000

H-Bond Acceptor

7

H-Bond Donor

2

Safety Description

S22-S24/25

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The molecular formula is C15H11N3O7.

What is the molecular weight of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The molecular weight is 345.26 g/mol.

When was Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)- created?

It was created on July 29, 2006.

When was Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)- last modified?

It was last modified on December 30, 2023.

What is the IUPAC name of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The IUPAC name is (2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid.

What is the InChI of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The InChI is InChI=1S/C15H11N3O7/c19-14(16-13(15(20)21)9-4-2-1-3-5-9)10-6-11(17(22)23)8-12(7-10)18(24)25/h1-8,13H,(H,16,19)(H,20,21)/t13-/m0/s1.

What is the InChIKey of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The InChIKey is MIVUDAUOXJDARR-ZDUSSCGKSA-N.

What is the canonical SMILES of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The canonical SMILES is C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].

What is the CAS number of Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-,(as)-?

The CAS number is 90761-62-9.

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