2-Fluoro-4-nitrobenzaldehyde

CAT: 0127-PC57031-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC57031-01Size:1 g

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CAS Number

157701-72-9

Synonyms

3-Fluoro-4-formylnitrobenzene

MDL Number

MFCD00968941

Purity

97%

Smiles

[O-][N+](=O)c1ccc(C=O)c(F)c1

Chemical Information

2-Fluoro-4-nitrobenzaldehyde

CAS Number	157701-72-9
PubChem CID	4562919
IUPAC Name	2-fluoro-4-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/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H

InChIKey

ZFCMKFOFVGHQNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 157701-72-9

CID: 4562919

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
PC400738-01	4-Fluoro-2-nitrobenzaldehyde
PC7624-01	3-Fluoro-4-nitrobenzaldehyde
PC32290-01	4-Fluoro-3-nitrobenzaldehyde
PC53378-01	4-Bromo-2-fluoro-5-nitrobenzaldehyde
PC500450-01	2-Fluoro-4-hydroxy-5-nitrobenzaldehyde
PC502216	2-Fluoro-4-methyl-6-nitrobenzaldehyde
PC1025739	2-Bromo-4-fluoro-5-nitrobenzaldehyde
PC110459-01	4-Fluoro-5-methoxy-2-nitrobenzaldehyde
PC100062-01	5-Bromo-4-fluoro-2-nitrobenzaldehyde
PC1004519-01	2-Bromo-4-fluoro-6-nitrobenzaldehyde

Catalog	Name
276867-01	4-Fluoro-2-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
LYA41286-01	2-Fluoro-4-methoxy-5-nitrobenzaldehyde
NIA38240	4-Bromo-5-fluoro-2-nitrobenzaldehyde
AAA39434	2-Fluoro-4-hydroxy-5-nitrobenzaldehyde
RG-A261263-01	4-Chloro-2-Fluoro-5-Nitrobenzaldehyde
FF64025-01	2-Fluoro-5-nitrobenzaldehyde
FF67539-01	2-Fluoro-6-nitrobenzaldehyde
FF67734-01	3-Fluoro-2-nitrobenzaldehyde