Compound C4H5Cl3N4O

2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol

CAS: 16977-58-5

Molecular Formula	`C4H5Cl3N4O`
Molecular Weight	231.46 g/mol
LogP	1.6
Topological Polar Surface Area	73.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	229.9529
Heavy Atoms	12
Complexity	152.0

Chemical Identifiers

CAS Number	16977-58-5
SMILES	`C1=NNC(=N1)NC(C(Cl)(Cl)Cl)O`
InChIKey	`YHMBYQOMSDNIBL-UHFFFAOYSA-N`

📖 Product Overview

Compound C4H5Cl3N4O (CAS: 16977-58-5) is a chemical compound with molecular formula C4H5Cl3N4O and molecular weight 231.46 g/mol. Its IUPAC systematic name is 2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol. LogP 1.6 Topological Polar Surface Area 73.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 229.9529 Heavy Atoms 12 Complexity 152.0 InChI Key: YHMBYQOMSDNIBL-UHFFFAOYSA-N. SMILES: C1=NNC(=N1)NC(C(Cl)(Cl)Cl)O.

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