1- (3-Nitrophenyl) Ethanone

CAT: 1299-RG-N092040-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-N092040-01Size:10 mg

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CAS Number

121-89-1

Synonyms

1- (3-nitrophenyl) ethanone

Molecular Formula

C8H7NO3

Molecular Weight

165.15

Product Name Synonym

1- (3-nitrophenyl) ethanone

Chemical Information

m-Nitroacetophenone

3-nitroacetophenone is a light beige powder. (NTP, 1992)

CAS Number	121-89-1
PubChem CID	8494
IUPAC Name	1-(3-nitrophenyl)ethanone
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	1.4
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	197

SMILES

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

InChI

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

InChIKey

ARKIFHPFTHVKDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-89-1

CID: 8494

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	1.4
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	197
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

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