N- (4-Fluorophenyl) -2-nitroaniline

CAT: 0926-AAA32278-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA32278-01Size:100 mg

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CAS Number

322-78-1

MDL Number

MFCD03414600

Smiles

C1=CC=C (C (=C1) NC2=CC=C (C=C2) F) [N+] (=O) [O-]

Molecular Formula

C12H9FN2O2

Molecular Weight

232.21 g/mol

Controlled

Chemical Information

N-(4-fluorophenyl)-2-nitroaniline

CAS Number	322-78-1
PubChem CID	3517656
IUPAC Name	N-(4-fluorophenyl)-2-nitroaniline
Molecular Formula	C12H9FN2O2
Molecular Weight	232.21
XLogP	3.8
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	262

SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9FN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H

InChIKey

UFHNNTOZYJSSPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 322-78-1

CID: 3517656

Formula: C12H9FN2O2

MW: 232.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.21
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	232.06480570
Monoisotopic Mass	232.06480570
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
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
BIA15713	N-Benzyl-2-methyl-4-nitroaniline
MBA63758-01	N-Ethyl-4-methyl-2-nitroaniline
EMA91498-01	4-Chloro-N-cyclopropyl-2-nitroaniline
DCA48426-01	4-Bromo-N-methyl-2-nitroaniline
KAC79109-01	4-Iodo-N-methyl-2-nitroaniline
MKB35139	N-Cyclopropyl 4-bromo-2-nitroaniline
VAA98367-01	N- (4-Chlorophenyl) -4-nitroaniline
MEA03347-01	N-Cyclopropyl-4-nitroaniline
SNA04445-01	N-Cyclopentyl-4-nitroaniline
FM76174-01	N-Methyl-4-nitroaniline

Catalog	Name
PC1003803-01	3-Chloro-N- (4-fluorophenyl) -2-nitroaniline
sc-310533	3-[ (4-Fluorophenyl) thio]-5-nitroaniline
Fr21211-01	4-Fluoro-2-nitroaniline
415933-01	2-Bromo-4-nitroaniline
TRC-M323545-250G	2-Methyl-4-nitroaniline
TRC-M323450-100G	4-Methyl-2-nitroaniline
sc-206837	4-Benzyloxy-2-nitroaniline
sc-232454	4-Bromo-2-nitroaniline
OR1055359-01	2-Ethyl-4-nitroaniline
PC1002262-01	4- (Difluoromethyl) -2-nitroaniline