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5-[[4-[(2-Chlorophenyl)[4-[(3,5-dicarboxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]isophthalic ac
CAS
94166-42-4
Catalog Number
ACM94166424
Category
Other Products
Molecular Weight
671.47966;g/mol
Molecular Formula
C35H23ClN2O8.HCl
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Specification
Synonyms
5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid hydrochloride; 5-((4-((2-Chlorophenyl)(4-((3,5-dicarboxyphenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)isophtha
IUPAC Name
5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylicacid;hydrochloride
Canonical SMILES
C1=CC=C(C(=C1)C(=C2C=CC(=NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=CC(=C5)C(=O)O)C(=O)O)Cl.Cl
InChI Key
KXFMNVQVDOVUBX-UHFFFAOYSA-N
Boiling Point
934.3ºC at 760mmHg
Flash Point
518.9ºC
EC Number
303-339-5
Exact Mass
670.09100
What is the molecular formula of the compound?
The molecular formula of the compound is C35H24Cl2N2O8.
What is the PubChem CID of the compound?
The PubChem CID of the compound is 5744295.
What is the molecular weight of the compound?
The molecular weight of the compound is 671.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid;hydrochloride.
What is the InChI key of the compound?
The InChI key of the compound is KXFMNVQVDOVUBX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 6 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 10 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
What is the exact mass of the compound?
The exact mass of the compound is 670.0909711 g/mol.
Is the compound canonically represented?
Yes, the compound is canonically represented.
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