4'-Fluoro-3'-nitroacetophneone

CAT: 0926-FF53823Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FF53823Size:50 g

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CAS Number

400-93-1

Synonyms

1- (4-Fluoro-3-nitrophenyl) ethanone

MDL Number

MFCD00115369

Smiles

CC (=O) C1=CC (=C (C=C1) F) [N+] (=O) [O-]

Molecular Formula

C8H6FNO3

Molecular Weight

183.14 g/mol

Controlled

Chemical Information

4'-Fluoro-3'-nitroacetophenone

CAS Number	400-93-1
PubChem CID	2734612
IUPAC Name	1-(4-fluoro-3-nitrophenyl)ethanone
Molecular Formula	C8H6FNO3
Molecular Weight	183.14
XLogP	1.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	226

SMILES

CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

InChIKey

PTCNZDJJIOLIKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400-93-1

CID: 2734612

Formula: C8H6FNO3

MW: 183.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.14
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	183.03317122
Monoisotopic Mass	183.03317122
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YJB69778	2'-Fluoro-3'-nitroacetophenone
LAC94429-01	3-Fluoro-4- (4-fluoro-2-hydroxyphenyl) phenol
FF70249-01	4-Fluoro-3-methoxyaniline
FF69981-01	4-Fluoro-3-methylphenol
FF69979-01	3-Fluoro-4-methoxybenzonitrile
FF64154-01	4-Fluoro-3-methylbenzonitrile
FF64145-01	3-Fluoro-4-hydroxybenzonitrile
FF63280	3-Fluoro-4-nitrophenol
FF23393-01	4-Fluoro-3-nitrobenzonitrile
FF10228-01	4-Fluoro-3-nitrobenzaldehyde

Catalog	Name
277905-01	4'-Fluoro-3'-nitroacetophneone
233642-01	4'-Fluoro-3'-nitroacetophneone 98+% (HPLC)
425578-01	3-Fluoro-4- (3-fluoro-4-methylphenyl) benzoic acid
425584-01	3-Fluoro-4- (4-fluoro-3-methylphenyl) benzoic acid
432340-01	4-Fluoro-3- (4-fluoro-3-methylphenyl) benzoic acid
PC107319	3-Fluoro-4,4-dihydroxytetrahydropyran
PC1009603	3-Fluoro-4,4'-dichlorobiphenyl
sc-323138	4-Fluoro-3',4'-dimethoxybenzhydrol
TRC-F621950-10G	4-Fluoro-3-nitroaniline
432387-01	4-Fluoro-3-methylphenol