2-Fluoro-4-nitrotoluene

CAT: 0024-sc-225379Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-225379Size:25 g

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CAS Number

1427-07-2

Chemical Information

2-Fluoro-4-nitrotoluene

CAS Number	1427-07-2
PubChem CID	74025
IUPAC Name	2-fluoro-1-methyl-4-nitrobenzene
Molecular Formula	C7H6FNO2
Molecular Weight	155.13
XLogP	2.7
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	157

SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])F

InChI

InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChIKey

WIQISTBTOQNVCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1427-07-2

CID: 74025

Formula: C7H6FNO2

MW: 155.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.13
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	155.03825660
Monoisotopic Mass	155.03825660
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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
276703-01	2-Fluoro-4-nitrotoluene
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432402-01	4-Fluoro-3-nitrotoluene
HY-W004960-01	4-Bromo-2-fluoro-6-nitrotoluene
414797-01	2-Acetamido-4-fluoro-3-nitrotoluene
159475	2-Chloro-4-fluoro-5-nitrotoluene
PC53113-01	2-Bromo-4-fluoro-5-nitrotoluene
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233152-01	4-Fluoro-2-nitrotoluene 99.5+%