2-Nitroacetanilide

CAT: 0926-FN71139-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FN71139-02Size:100 g

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CAS Number

552-32-9

MDL Number

MFCD00016991

Smiles

CC (=O) NC1=CC=CC=C1[N+] (=O) [O-]

Molecular Formula

C8H8N2O3

Molecular Weight

180.16 g/mol

Controlled

Chemical Information

2'-Nitroacetanilide

CAS Number	552-32-9
PubChem CID	11090
IUPAC Name	N-(2-nitrophenyl)acetamide
Molecular Formula	C8H8N2O3
Molecular Weight	180.16
XLogP	1
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	212

SMILES

CC(=O)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey

BUNFNRVLMKHKIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 552-32-9

CID: 11090

Formula: C8H8N2O3

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.05349212
Monoisotopic Mass	180.05349212
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212
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
FE67961-01	2'-Ethoxy-4'-nitroacetanilide
FN71072-01	4'-Nitroacetanilide
FN70777-01	3-Nitroacetanilide
FH158335-01	4- (2-Hydroxyethoxy) -3-nitroacetanilide
FB67243	4-Bromo-2-fluoro-5-nitroacetanilide
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde

Catalog	Name
N05940	2-Nitroacetanilide 97%
OR1098355	4-Methyl-2-nitroacetanilide
OR0635	2-Methyl-4-nitroacetanilide
OR470179	2- (2-Chloroethoxy) -4'-nitroacetanilide
TRC-N010100-2.5G	m-Nitroacetanilide
sc-226333	3'-Nitroacetanilide
sc-232916	4-Nitroacetanilide
sc-267853	4'-Methoxy-2'-nitroacetanilide
sc-266250	2'-Methyl-4'-nitroacetanilide
sc-486226	2'-Methyl-3'-nitroacetanilide