CAS
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3-Formylphenyl 3,5-dinitrobenzoate
Catalog Number
ACMA00002491
Category
Ethers
Molecular Weight
316.22
Molecular Formula
C15H21NO4
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Specification
Hazard Statements
H411
RIDADR
UN 3077 9 / PGIII
Symbol
GHS09
What is the molecular formula of the compound?
The molecular formula of the compound is C14H8N2O7.
What is the molecular weight of the compound?
The molecular weight of the compound is 316.22 g/mol.
When was the compound created?
The compound was created on September 16, 2005.
When was the compound last modified?
The compound was last modified on November 25, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (3-formylphenyl) 3,5-dinitrobenzoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H8N2O7/c17-8-9-2-1-3-13(4-9)23-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h1-8H.
What is the InChIKey of the compound?
The InChIKey of the compound is KDQKDSREODHDJL-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=O.
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 7 hydrogen bond acceptor counts.
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