Ethyl 4-nitrophenylacetate

CAT: 0024-sc-285549ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285549ASize:25 g

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CAS Number

5445-26-1

Chemical Information

Ethyl 4-nitrophenylacetate

has antirheumatic activity; structure in first source

CAS Number	5445-26-1
PubChem CID	79517
IUPAC Name	ethyl 2-(4-nitrophenyl)acetate
Molecular Formula	C10H11NO4
Molecular Weight	209.20
XLogP	2.1
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	228

SMILES

CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey

DWDRNKYLWMKWTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5445-26-1

CID: 79517

Formula: C10H11NO4

MW: 209.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	209.06880783
Monoisotopic Mass	209.06880783
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	228
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
sc-487900	Sodium 4-Nitrophenylacetate
sc-482178	Methyl 3-nitrophenylacetate
sc-296435A	Succinimidyl-p-nitrophenylacetate
sc-296435	Succinimidyl-p-nitrophenylacetate
sc-285529	Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
sc-269131	Ethyl 4,4-difluorocyclohexanecarboxylate
sc-323127	4-Ethyl-4'-methylbenzhydrol
sc-391763	α-Ethyl-4,4'-dimethoxychalcone
sc-496538	4-Ethyl-4-piperidinamine
sc-323126	4-Ethyl-4'-fluorobenzhydrol

Catalog	Name
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