Compound C12H16Cl3NO4

1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate

CAS: 53404-13-0

Molecular Formula	`C12H16Cl3NO4`
Molecular Weight	344.6 g/mol
Topological Polar Surface Area	97.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	343.0145
Heavy Atoms	20
Complexity	254.0

Chemical Identifiers

CAS Number	53404-13-0
SMILES	`CC(CO)[NH3+].CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl`
InChIKey	`VHWQUDILEMEHBO-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H16Cl3NO4 (CAS: 53404-13-0) is a chemical compound with molecular formula C12H16Cl3NO4 and molecular weight 344.6 g/mol. Its IUPAC systematic name is 1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate. Topological Polar Surface Area 97.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 343.0145 Heavy Atoms 20 Complexity 254.0 InChI Key: VHWQUDILEMEHBO-UHFFFAOYSA-N. SMILES: CC(CO)[NH3+].CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl.

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