4- (2-Hydroxyethoxy) -3-nitroacetanilide

CAT: 0926-FH158335-02Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0926-FH158335-02Size:2000 mg

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CAS Number

59820-33-6

Synonyms

N-[4- (2-Hydroxyethoxy) -3-nitrophenyl]acetamide

MDL Number

MFCD07783661

Smiles

CC (=O) Nc1ccc (OCCO) c (c1) [N+] (=O) [O-]

Molecular Formula

C10H12N2O5

Molecular Weight

240.21 g/mol

Controlled

Chemical Information

N-[4-(2-Hydroxyethoxy)-3-nitrophenyl]acetamide

CAS Number	59820-33-6
PubChem CID	20540965
IUPAC Name	N-[4-(2-hydroxyethoxy)-3-nitrophenyl]acetamide
Molecular Formula	C10H12N2O5
Molecular Weight	240.21
XLogP	-0.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	278

SMILES

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

InChI

InChI=1S/C10H12N2O5/c1-7(14)11-8-2-3-10(17-5-4-13)9(6-8)12(15)16/h2-3,6,13H,4-5H2,1H3,(H,11,14)

InChIKey

BKDUSJRNVDOBMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59820-33-6

CID: 20540965

Formula: C10H12N2O5

MW: 240.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.21
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	240.07462149
Monoisotopic Mass	240.07462149
Topological Polar Surface Area	104 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	278
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
FN71072-01	4'-Nitroacetanilide
FE67961-01	2'-Ethoxy-4'-nitroacetanilide
FM67823-01	4-Methoxy-2-nitroacetanilide
HMB90910-01	4- (2-Hydroxyethoxy) -3-methoxybenzonitrile
FN71139-01	2-Nitroacetanilide
FN70777-01	3-Nitroacetanilide
EQB77924-01	3-Fluoro-4- (2-hydroxyethoxy) benzaldehyde
RQB50107-01	3- (2-Hydroxyethoxy) -4-methoxybenzoic acid
GWB31836-01	4- (2-Hydroxyethoxy) quinoline-3-carbonitrile
HCA92896-01	4- (2-Hydroxyethoxy) benzonitrile

Catalog	Name
OR40743	4'- (2-Hydroxyethoxy) -3'-nitroacetanilide
sc-486226	2'-Methyl-3'-nitroacetanilide
OR17037	3'-Bromo-2'-nitroacetanilide
OR1003608-01	2',3'-Dimethyl-6'-nitroacetanilide
N05940	2-Nitroacetanilide 97%
OR924646-01	3- (2-Hydroxyethoxy) benzaldehyde
OR1098355	4-Methyl-2-nitroacetanilide
OR0635	2-Methyl-4-nitroacetanilide
OR322287	3- (2-Hydroxyethoxy) phenol
OR40744	4'-[ (2-Hydroxyethyl) amino]-3'-nitroacetanilide