2-Fluoro-3-nitrobenzaldehyde

CAT: 0127-PC501176-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC501176-01Size:100 mg

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CAS Number

96516-29-9

MDL Number

MFCD08669885

Purity

=95%

Smiles

[O-][N+](=O)c1cccc(C=O)c1F

Chemical Information

2-Fluoro-3-nitrobenzaldehyde

CAS Number	96516-29-9
PubChem CID	10487325
IUPAC Name	2-fluoro-3-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=CC(=C(C(=C1)[N+](=O)[O-])F)C=O

InChI

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

InChIKey

WLDHPJSICUOHTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96516-29-9

CID: 10487325

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
PC501169-01	3-Fluoro-2-nitrobenzaldehyde
PC501430-01	3-Fluoro-5-nitrobenzaldehyde
PC7624-01	3-Fluoro-4-nitrobenzaldehyde
PC32290-01	4-Fluoro-3-nitrobenzaldehyde
PC1006285-01	2-fluoro-3-methyl-5-nitrobenzaldehyde
PC57031-01	2-Fluoro-4-nitrobenzaldehyde
PC56312-01	6-Fluoro-2-methyl-3-nitrobenzaldehyde
PC103431-01	5-Fluoro-2-hydroxy-3-nitrobenzaldehyde
PC500274-01	6-Fluoro-2-hydroxy-3-nitrobenzaldehyde
PC6552-01	2-Fluoro-5-nitrobenzaldehyde

Catalog	Name
FF67734-01	3-Fluoro-2-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
sc-482825	3-Fluoro-5-nitrobenzaldehyde
276867-01	4-Fluoro-2-nitrobenzaldehyde
FF64025-01	2-Fluoro-5-nitrobenzaldehyde
FF67539-01	2-Fluoro-6-nitrobenzaldehyde
LDB02247-01	3-Fluoro-4-hydroxy-5-nitrobenzaldehyde
LYA41286-01	2-Fluoro-4-methoxy-5-nitrobenzaldehyde
NIA38240	4-Bromo-5-fluoro-2-nitrobenzaldehyde