3-Nitrobenzaldehyde

CAT: 1489-N7690-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-N7690-01Size:25 g

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CAS Number

99-61-6

Purity

0.98

Chemical Information

3-Nitrobenzaldehyde

3-nitrobenzaldehyde is a benzaldehyde carrying a nitro group at the 3-position. It is a member of benzaldehydes and a C-nitro compound.

CAS Number	99-61-6
PubChem CID	7449
IUPAC Name	3-nitrobenzaldehyde
Molecular Formula	C7H5NO3
Molecular Weight	151.12
XLogP	1.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	164

SMILES

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

InChI

InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H

InChIKey

ZETIVVHRRQLWFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-61-6

CID: 7449

Formula: C7H5NO3

MW: 151.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.12
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.026943022
Monoisotopic Mass	151.026943022
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164
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
N8560-01	4-Nitrobenzaldehyde
D7050-01	3, 3'-Diaminobenzidine
D6850	3,3'-Dipentyloxacarbocyanine Iodide (DiOC5 (3) )
D8700-01	1, 1-Dioctadecyl-3, 3, 3, 3- tetramethylindocarbocyanine iodide
M2990-01	3-Methylpyrrolidin-3-Ol
D6400-01	3,3’-DIETHYLTHIACARBOCYANINE IODIDE
D5080-01	3,3-Dimethylglutaric Acid
D5070-01	3,3’-DIPROPYLTHIADICARBOCYANINE IODIDE
D4881-01	3,3-Difluorocyclobutanecarboxylic acid
D7960	3,3'-Dithiodipropionic Acid

Catalog	Name
285478-01	3-Nitrobenzaldehyde
914002	3‐NITROBENZALDEHYDE
FC67667-01	3-Chloro-4-nitrobenzaldehyde
SBA56441	4-Methylamino-3-nitrobenzaldehyde
SBA12333	3-Hydroxy-2-nitrobenzaldehyde
418232-01	2-Hydroxy-3-nitrobenzaldehyde
415795-01	2-Bromo-3-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
sc-261055	3-Methyl-4-nitrobenzaldehyde
OR1035468-01	4-Amino-3-nitrobenzaldehyde