2,4-Dinitro-5-fluoroaniline

CAT: 0024-sc-288433ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-288433ASize:5 g

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CAS Number

367-81-7

Chemical Information

5-Fluoro-2,4-dinitroaniline

CAS Number	367-81-7
PubChem CID	73944
IUPAC Name	5-fluoro-2,4-dinitroaniline
Molecular Formula	C6H4FN3O4
Molecular Weight	201.11
XLogP	1.6
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	250

SMILES

C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2

InChIKey

RAGRTYREMCPEIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 367-81-7

CID: 73944

Formula: C6H4FN3O4

MW: 201.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.11
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	201.01858378
Monoisotopic Mass	201.01858378
Topological Polar Surface Area	118 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250
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-283417	2,4-Dinitro-5-fluorotoluene
sc-322056	2,4-Dibromo-5-fluoroaniline
sc-311646	2- (4-Ethylphenoxy) -5-fluoroaniline
sc-311623	2- (4-Ethoxyphenoxy) -5-fluoroaniline
sc-305428	2- (4-Benzylphenoxy) -5-fluoroaniline
sc-311578	2- (4-Chlorophenoxy) -5-fluoroaniline
sc-322056A	2,4-Dibromo-5-fluoroaniline
sc-304969	2- (2,4-Dimethylphenoxy) -5-fluoroaniline
sc-304953	2- (2,4-Difluorophenoxy) -5-fluoroaniline
sc-322945	4-Bromo-2-chloro-5-fluoroaniline

Catalog	Name
PC3020-01	2,4-Dinitro-5-fluoroaniline
FD84807-01	N, N-Diethyl-2,4-Dinitro-5-Fluoroaniline
FD66933-01	2,4-Dinitro-5-methylphenylhydrazine
OR0426	2,4-Dinitro-5-methoxyphenol
420315-01	2,4-Dinitro-5-fluorotoluene
VHA13665	2,4-Dimethoxy-5-fluoroaniline
PC903755-01	2,5-Dibromo-4-fluoroaniline
OR0933	2,4-Dinitro-5-morpholinotoluene
PC303284-01	4,5-Dichloro-2-fluoroaniline
PC303313-01	2,5-Dichloro-4-fluoroaniline