Compound C33H22Cl2N2O4

5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]-2-chlorobenzoic acid

CAS: 55811-23-9

Molecular Formula	`C33H22Cl2N2O4`
Molecular Weight	581.4 g/mol
LogP	8.3
Topological Polar Surface Area	99.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	580.09564
Heavy Atoms	41
Complexity	1050.0

Chemical Identifiers

CAS Number	55811-23-9
SMILES	`C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC(=C(C=C3)Cl)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O`
InChIKey	`JPOAXWSMFOLMQH-UHFFFAOYSA-N`

📖 Product Overview

Compound C33H22Cl2N2O4 (CAS: 55811-23-9) is a chemical compound with molecular formula C33H22Cl2N2O4 and molecular weight 581.4 g/mol. Its IUPAC systematic name is 5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]-2-chlorobenzoic acid. LogP 8.3 Topological Polar Surface Area 99.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 580.09564 Heavy Atoms 41 Complexity 1050.0 InChI Key: JPOAXWSMFOLMQH-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC(=C(C=C3)Cl)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O.

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