3-Fluoro-5-nitrobenzaldehyde

CAT: 0024-sc-482825Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-482825Size:1 g

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CAS Number

108159-96-2

Chemical Information

3-Fluoro-5-nitrobenzaldehyde

CAS Number	108159-96-2
PubChem CID	13640590
IUPAC Name	3-fluoro-5-nitrobenzaldehyde
Molecular Formula	C7H4FNO3
Molecular Weight	169.11
XLogP	1.3
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	192

SMILES

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

InChI

InChI=1S/C7H4FNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H

InChIKey

BNZAUKCPEARMKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108159-96-2

CID: 13640590

Formula: C7H4FNO3

MW: 169.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.11
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.01752115
Monoisotopic Mass	169.01752115
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192
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-230315	2-Fluoro-5-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
sc-256501A	3-Fluoro-4-nitrobenzaldehyde
sc-232706	4-Fluoro-3-nitrobenzaldehyde
sc-231531	3-Bromo-5-nitrobenzaldehyde
sc-356287A	2- (3-Fluorobenzyloxy) -5-nitrobenzaldehyde
sc-470072	3,4-Dihydroxy-5-nitrobenzaldehyde
sc-356287	2- (3-Fluorobenzyloxy) -5-nitrobenzaldehyde
sc-238602A	3-Nitrobenzaldehyde
sc-238602	3-Nitrobenzaldehyde

Catalog	Name
425739-01	3-Fluoro-5-nitrobenzaldehyde
FF64025-01	2-Fluoro-5-nitrobenzaldehyde
PC3885D-01	5-Fluoro-2-nitrobenzaldehyde
PC1006285-01	2-fluoro-3-methyl-5-nitrobenzaldehyde
PC103431-01	5-Fluoro-2-hydroxy-3-nitrobenzaldehyde
PC502375	3-Fluoro-4-methoxy-5-nitrobenzaldehyde
LDB02247-01	3-Fluoro-4-hydroxy-5-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
PC501176-01	2-Fluoro-3-nitrobenzaldehyde
PC7624-01	3-Fluoro-4-nitrobenzaldehyde