5-Nitro-2-furaldehyde

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CAS Number

698-63-5

Synonyms

5-Nitrofurfural

MDL Number

MFCD00003230

Purity

98%

Smiles

[O-][N+](=O)c1oc(C=O)cc1

Chemical Information

5-Nitrofurfural

5-Nitrofurfural is a member of furans and a C-nitro compound.

CAS Number	698-63-5
PubChem CID	12774
IUPAC Name	5-nitrofuran-2-carbaldehyde
Molecular Formula	C5H3NO4
Molecular Weight	141.08
XLogP	1
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	152

SMILES

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

InChI

InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H

InChIKey

SXINBFXPADXIEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 698-63-5

CID: 12774

Formula: C5H3NO4

MW: 141.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.08
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	141.00620758
Monoisotopic Mass	141.00620758
Topological Polar Surface Area	76 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152
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
OR8105-01	5-Iodo-2-furaldehyde
PC4825	5- (Trifluoromethyl) -2-furaldehyde
OR30421	5-Bromo-2-furaldehyde
OR8853-01	5- (Hydroxymethyl) -2-furaldehyde
OR480749-01	5-Chloro-2-furaldehyde
OR951936	5-Phenyl-2-furaldehyde
OR41166	5-Methyl-2-furaldehyde
OR6750T-01	5-Acetoxymethyl-2-furaldehyde
OR922057-01	5-Ethyl-2-furaldehyde
OR28219-01	5- (2,5-Dichlorophenyl) -2-furaldehyde

Catalog	Name
TRC-N495930-1G	5-Nitro-2-furaldehyde
FN11774-01	5-Nitro-2-furaldehyde diacetate
GK3255-100g	5-Nitro-2-furaldehyde semicarbazone
N08929-01	5-Nitro-2-furaldehyde 97%
73244872-100g	5-Nitro-2-furaldehyde semicarbazone (Nitrofurazone)
N1335-20	5-hydroxymethyl-2-furaldehyde
FB07000-01	5-Bromo-2-furaldehyde
WAA50819	5-Chloro-2-furaldehyde
sc-317768A	5- (Dimethylamino) -2-furaldehyde
sc-210260	5-Acetoxymethyl-2-furaldehyde