2-chloro-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide

2-CHLORO-N-[3-CYANO-1-(4-FLUOROBENZYL)-4,5-DIMETHYL-1H-PYRROL-2-YL]ACETAMIDE · 2-chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide · 2-Chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl]acetamide · Acetamide, 2-chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl]-

https://huagongshe.com/de/chemical/4962012

Molekülstruktur von 2-chloro-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide

Identifikatoren & physikalische Daten

CAS No.	852400-31-8
Summenformel	C16H15ClFN3O
Durchschnittliche Molmasse	319,76 g/mol
Monoisotopische Masse	319,088768 g/mol
SMILES	Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccc(F)cc2)c1C
InChIKey	MIGWOHWMEGTJLT-UHFFFAOYSA-N
PubChem CID	4962012
ChEMBL	CHEMBL1302639
EC No.	181-441-7

Chemische & physikalische Eigenschaften

XLogP	3,5
Polarare Oberfläche (TPSA)	57,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	22
Formalladung	0
Komplexität	444
Lagerbedingungen	Storage temp. 2-8°C

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)