4'-Nitroacetophenone

CAT: 0127-OR28938-01Size: 250 gDry Ice: NoHazardous: No

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CAT#:0127-OR28938-01Size:250 g

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CAS Number

100-19-6

Synonyms

1- (4-Nitrophenyl) ethan-1-one, 4-Acetylnitrobenzene

MDL Number

MFCD00007355

Purity

98%

Smiles

CC(=O)c1ccc(cc1)[N+](=O)[O-]

Chemical Information

p-Nitroacetophenone

4-nitroacetophenone is a member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group. It is a member of acetophenones and a C-nitro compound.

CAS Number	100-19-6
PubChem CID	7487
IUPAC Name	1-(4-nitrophenyl)ethanone
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	1.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	189

SMILES

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

InChI

InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3

InChIKey

YQYGPGKTNQNXMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-19-6

CID: 7487

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	165.042593085
Monoisotopic Mass	165.042593085
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189
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

Related Products

Catalog	Name
OR400597-01	4’-Bromo-2’-nitroacetophenone
PC9282	4'- (4-Fluorobenzyloxy) -3'-nitroacetophenone
OR26752-01	4'-Methoxy-3'-nitroacetophenone
PC5672-01	4'-Fluoro-3'-nitroacetophenone
OR4944-01	4-Methyl-3-nitroacetophenone
OR4297-01	4'-Hydroxy-3'-nitroacetophenone
PC99244-01	4'-Fluoro-2'-nitroacetophenone
OR0027-01	4'-Chloro-3'-nitroacetophenone
OR17547-01	4'- (Methylamino) -3'-nitroacetophenone
OR70166-01	4',5'-Methylenedioxy-2'-nitroacetophenone

Alternative Products

Catalog	Name
sc-239008	4'-Nitroacetophenone
FN03712-01	4-Nitroacetophenone
114650 250	4-Nitroacetophenone For Synthesis
FC67606-01	2'-Chloro-4'-nitroacetophenone
FA11486-01	4-Amino-3-nitroacetophenone
433904-01	4'-Bromo-3'-nitroacetophenone
279296-01	4'-Hydroxy-3'-nitroacetophenone
266242-01	4-Bromo-3-nitroacetophenone
sc-233105	4'-Chloro-3'-nitroacetophenone
270162-01	4-Chloro-3-nitroacetophenone

4'-Nitroacetophenone

Chemical Information

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