4-Fluoro-3-nitroaniline

CAT: 0572-TRC-F621950-5GSize: 5 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-F621950-5GSize:5 g

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CAS Number

364-76-1

Hazard Statement

No Data Available

Smiles

Nc1ccc(F)c(c1)[N+](=O)[O-]

Molecular Formula

C6H5FN2O2

Molecular Weight

156.11

Shipping Conditions

Room Temperature

Chemical Information

4-Fluoro-3-nitroaniline

4-fluoro-3-nitroaniline is a nitroaniline and an organofluorine compound.

CAS Number	364-76-1
PubChem CID	67768
IUPAC Name	4-fluoro-3-nitroaniline
Molecular Formula	C6H5FN2O2
Molecular Weight	156.11
XLogP	0.8
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

C1=CC(=C(C=C1N)[N+](=O)[O-])F

InChI

InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

InChIKey

LLIOADBCFIXIEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 364-76-1

CID: 67768

Formula: C6H5FN2O2

MW: 156.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.11
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	156.03350557
Monoisotopic Mass	156.03350557
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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
FF64346-01	4-Fluoro-3-nitroaniline
276857-01	3-Fluoro-4-nitroaniline
F03560-01	4-Fluoro-3-Nitroaniline 97%
FF64345-01	2-Fluoro-4-nitroaniline
Fr21211-01	4-Fluoro-2-nitroaniline
ZAA77312-01	4-Fluoro-N-methyl-3-nitroaniline
PC501106	3-Fluoro-2-methyl-4-nitroaniline
PC500513	4-Iodo-3-fluoro-2-nitroaniline
430975-01	4-Bromo-3-fluoro-2-nitroaniline
SID59975-01	4-Chloro-3-fluoro-2-nitroaniline