Compound C12H13Cl6N5

3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile

CAS: 24863-52-3

Molecular Formula	`C12H13Cl6N5`
Molecular Weight	440.0 g/mol
LogP	4.8
Topological Polar Surface Area	65.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	438.92725
Heavy Atoms	23
Complexity	406.0

Chemical Identifiers

CAS Number	24863-52-3
SMILES	`CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl`
InChIKey	`YTHAIHNPHPHRBX-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H13Cl6N5 (CAS: 24863-52-3) is a chemical compound with molecular formula C12H13Cl6N5 and molecular weight 440.0 g/mol. Its IUPAC systematic name is 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile. LogP 4.8 Topological Polar Surface Area 65.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 438.92725 Heavy Atoms 23 Complexity 406.0 InChI Key: YTHAIHNPHPHRBX-UHFFFAOYSA-N. SMILES: CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.

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