2-Ethyl-4-nitroaniline

CAT: 0127-OR1055359-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055359-01Size:250 mg

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CAS Number

6853-29-8

MDL Number

MFCD25966163

Purity

97%

Smiles

NC1=CC=C([N+]([O-])=O)C=C1CC

Chemical Information

2-Ethyl-4-nitroaniline

CAS Number	6853-29-8
PubChem CID	14819009
IUPAC Name	2-ethyl-4-nitroaniline
Molecular Formula	C8H10N2O2
Molecular Weight	166.18
XLogP	1.9
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CCC1=C(C=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O2/c1-2-6-5-7(10(11)12)3-4-8(6)9/h3-5H,2,9H2,1H3

InChIKey

DCOPKZQDPBRDJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6853-29-8

CID: 14819009

Formula: C8H10N2O2

MW: 166.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.18
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	166.074227566
Monoisotopic Mass	166.074227566
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
OR80999-01	4-Ethyl-2-nitroaniline
OR958761-01	4-Ethyl-3-nitroaniline
OR96094-01	N-Ethyl-4-nitroaniline
PC6534	N-Ethyl-4-fluoro-2-nitroaniline
OR2981	N-Ethyl-4-chloro-2-nitroaniline
OR1062940-01	4-Bromo-N-ethyl-2-nitroaniline
OR962442-01	N-Ethyl-2-nitroaniline
OR954395-01	N-Ethyl-5-methoxy-2-nitroaniline
PC909139-01	N-Ethyl-5-fluoro-2-nitroaniline
OR1035325-01	N-Ethyl-5-methyl-2-nitroaniline

Catalog	Name
BCA52996-01	4-Ethyl-3-nitroaniline
458992-01	N-Ethyl-4-nitroaniline
MBA63758-01	N-Ethyl-4-methyl-2-nitroaniline
sc-358424	N-Ethyl-4-fluoro-2-nitroaniline
sc-290092A	4-Bromo-N-ethyl-2-nitroaniline
458909-01	N-Ethyl 2-Bromo-4-nitroaniline
sc-358423	N-Ethyl-4-chloro-2-nitroaniline
458973-01	N-Ethyl-2-nitroaniline
RG-N092033-01	2-Ethyl-5-Nitroaniline
459542-01	N-Nitroso-N-ethyl-4-nitroaniline