Compound C12H14ClF3NO4PS

4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-lambda5-phosphane

CAS: 3954-73-2

Molecular Formula	`C12H14ClF3NO4PS`
Molecular Weight	391.73 g/mol
LogP	5.0
Topological Polar Surface Area	96.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	391.00217
Heavy Atoms	23
Complexity	449.0

Chemical Identifiers

CAS Number	3954-73-2
SMILES	`CP(=S)(OCCCCCl)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F`
InChIKey	`RMCKJMQDQHLYFV-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H14ClF3NO4PS (CAS: 3954-73-2) is a chemical compound with molecular formula C12H14ClF3NO4PS and molecular weight 391.73 g/mol. Its IUPAC systematic name is 4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-lambda5-phosphane. LogP 5.0 Topological Polar Surface Area 96.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 391.00217 Heavy Atoms 23 Complexity 449.0 InChI Key: RMCKJMQDQHLYFV-UHFFFAOYSA-N. SMILES: CP(=S)(OCCCCCl)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F.

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