1-nitro-3-(trifluoromethylsulfanyl)benzene

CAS: 370-47-8

Molecular Formula	`C7H4F3NO2S`
Molecular Weight	223.17 g/mol
LogP	3.5
Topological Polar Surface Area	71.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	222.99149
Heavy Atoms	14
Complexity	216.0

Chemical Identifiers

CAS Number	370-47-8
SMILES	`C1=CC(=CC(=C1)SC(F)(F)F)[N+](=O)[O-]`
InChIKey	`LCYLLPJRCOQTHG-UHFFFAOYSA-N`

📖 Product Overview

1-nitro-3-(trifluoromethylsulfanyl)benzene (CAS: 370-47-8) is a chemical compound with molecular formula C7H4F3NO2S and molecular weight 223.17 g/mol. Its IUPAC systematic name is 1-nitro-3-(trifluoromethylsulfanyl)benzene. LogP 3.5 Topological Polar Surface Area 71.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 222.99149 Heavy Atoms 14 Complexity 216.0 InChI Key: LCYLLPJRCOQTHG-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)SC(F)(F)F)[N+](=O)[O-].

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