RefChem:1059681

3-amino-2,4,5-trichlorobenzoic acid;1-[bis(2-hydroxypropyl)amino]propan-2-ol;2-(2,4-dichlorophenoxy)acetic acid

CAS: 8067-55-8

Molecular Formula	`C24H31Cl5N2O8`
Molecular Weight	652.8 g/mol
Topological Polar Surface Area	174.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	652.0494
Heavy Atoms	39
Complexity	508.0

Chemical Identifiers

CAS Number	8067-55-8
SMILES	`CC(CN(CC(C)O)CC(C)O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C1=C(C(=C(C(=C1Cl)Cl)N)Cl)C(=O)O`
InChIKey	`PYTPHBBFVAGMDB-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1059681 (CAS: 8067-55-8) is a chemical compound with molecular formula C24H31Cl5N2O8 and molecular weight 652.8 g/mol. Its IUPAC systematic name is 3-amino-2,4,5-trichlorobenzoic acid;1-[bis(2-hydroxypropyl)amino]propan-2-ol;2-(2,4-dichlorophenoxy)acetic acid. Topological Polar Surface Area 174.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 10 Exact Mass 652.0494 Heavy Atoms 39 Complexity 508.0 InChI Key: PYTPHBBFVAGMDB-UHFFFAOYSA-N. SMILES: CC(CN(CC(C)O)CC(C)O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C1=C(C(=C(C(=C1Cl)Cl)N)Cl)C(=O)O.

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