4-Ethyl-3-nitrobenzaldehyde

CAT: 0024-sc-232650Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232650Size:1 g

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CAS Number

4748-80-5

Chemical Information

4-Ethyl-3-nitrobenzaldehyde

CAS Number	4748-80-5
PubChem CID	2060457
IUPAC Name	4-ethyl-3-nitrobenzaldehyde
Molecular Formula	C9H9NO3
Molecular Weight	179.17
XLogP	2
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	200

SMILES

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

InChI

InChI=1S/C9H9NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h3-6H,2H2,1H3

InChIKey

PQNRTCSIGGYXNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4748-80-5

CID: 2060457

Formula: C9H9NO3

MW: 179.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.17
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	179.058243149
Monoisotopic Mass	179.058243149
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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-261055	3-Methyl-4-nitrobenzaldehyde
sc-261055A	3-Methyl-4-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
sc-260775	3-Bromo-4-nitrobenzaldehyde
sc-238863	4-Hydroxy-3-nitrobenzaldehyde
sc-260775A	3-Bromo-4-nitrobenzaldehyde
sc-261378	4- (Benzylthio) -3-nitrobenzaldehyde
sc-226533	4-Bromo-3-nitrobenzaldehyde
sc-256501A	3-Fluoro-4-nitrobenzaldehyde
sc-226624	4-Ethoxy-3-nitrobenzaldehyde

Catalog	Name
OR1024930-01	4-Ethyl-3-Nitrobenzaldehyde
SBA56441	4-Methylamino-3-nitrobenzaldehyde
FC67667-01	3-Chloro-4-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
OR26454-01	4-Methoxy-3-nitrobenzaldehyde
OR400210-01	3-Methoxy-4-nitrobenzaldehyde
OR4977-01	4-Chloro-3-nitrobenzaldehyde
OR1035468-01	4-Amino-3-nitrobenzaldehyde
OR5672	4-Methyl-3-nitrobenzaldehyde
424351-01	3-Bromo-4-nitrobenzaldehyde