2,4-Dinitrobenzaldehyde

CAT: 1299-RG-D142000-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D142000-02Size:25 mg

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CAS Number

528-75-6

Synonyms

2,4-dinitrobenzaldehyde

Molecular Formula

C7H4N2O5

Molecular Weight

196.12

Product Name Synonym

2,4-dinitrobenzaldehyde

Chemical Information

2,4-Dinitrobenzaldehyde

structure given in first source

CAS Number	528-75-6
PubChem CID	68250
IUPAC Name	2,4-dinitrobenzaldehyde
Molecular Formula	C7H4N2O5
Molecular Weight	196.12
XLogP	1.6
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	256

SMILES

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

InChI

InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H

InChIKey

ZILXIZUBLXVYPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 528-75-6

CID: 68250

Formula: C7H4N2O5

MW: 196.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.12
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.01202123
Monoisotopic Mass	196.01202123
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256
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
RG-D142001-01	2,6-Dinitrobenzaldehyde
RG-E140732-01	2,4-dimethylpentane-2,4-diol
RG-E141246-01	2,4,4-trimethylpent-2-ene
RG-A263613-01	Ethyl 3-oxobutanoate-2,2,4,4,4-d5
RM-L100002-01	Lithocholic Acid-2,2,4,4-D4
RM-G123302-01	Glycodeoxycholic-2,2,4,4-D4 Acid
RM-G121504-01	Glycocholic-2,2,4,4-D4 Acid
RG-T180306-01	4-Chloro-2- (2,4-Dichlorophenoxy) Phenol
RM-G122901-01	Glycoursodeoxycholic-2,2,4,4-D4 Acid
RG-E140191-01	2,4-Diphenyl-4-methylpent-2-ene

Catalog	Name
270658-01	2,4-Dinitrobenzaldehyde
OR303581-01	3,4-Dinitrobenzaldehyde
sc-238427	2,6-Dinitrobenzaldehyde
AR-B06275-01	3,5-Dinitrobenzaldehyde
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone