BUTYROPHENONE, 3-CHLORO-3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-

3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butan-1-one

CAS: 100700-44-5

Molecular Formula	`C11H6ClF6NO3`
Molecular Weight	349.61 g/mol
LogP	4.1
Topological Polar Surface Area	62.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	348.99405
Heavy Atoms	22
Complexity	431.0

Chemical Identifiers

CAS Number	100700-44-5
SMILES	`C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(F)(F)F)(C(F)(F)F)Cl`
InChIKey	`OOIROORZDLJFDN-UHFFFAOYSA-N`

📖 Product Overview

BUTYROPHENONE, 3-CHLORO-3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL- (CAS: 100700-44-5) is a chemical compound with molecular formula C11H6ClF6NO3 and molecular weight 349.61 g/mol. Its IUPAC systematic name is 3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butan-1-one. LogP 4.1 Topological Polar Surface Area 62.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 3 Exact Mass 348.99405 Heavy Atoms 22 Complexity 431.0 InChI Key: OOIROORZDLJFDN-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(F)(F)F)(C(F)(F)F)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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