4-Fluoro-2-nitrobenzamide

CAT: 0024-sc-299508Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-299508Size:1 g

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CAS Number

106754-80-7

Chemical Information

4-Fluoro-2-nitrobenzamide

CAS Number	106754-80-7
PubChem CID	13597033
IUPAC Name	4-fluoro-2-nitrobenzamide
Molecular Formula	C7H5FN2O3
Molecular Weight	184.12
XLogP	0.9
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	228

SMILES

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

InChI

InChI=1S/C7H5FN2O3/c8-4-1-2-5(7(9)11)6(3-4)10(12)13/h1-3H,(H2,9,11)

InChIKey

VSWSFFDDRSVJSR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106754-80-7

CID: 13597033

Formula: C7H5FN2O3

MW: 184.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.12
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	184.02842019
Monoisotopic Mass	184.02842019
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228
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-497485	N- (3,4-Dimethoxybenzyl) -2-fluoro-5-nitrobenzamide
sc-232917	4-Nitrobenzamide
sc-230593	2-Nitrobenzamide
sc-352550	4,5-Dimethoxy-2-nitrobenzamide
sc-342536A	2-chloro-N-methyl-4-nitrobenzamide
sc-341890A	2-chloro-N- (2-hydroxyethyl) -4-nitrobenzamide
sc-342536	2-chloro-N-methyl-4-nitrobenzamide
sc-341890	2-chloro-N- (2-hydroxyethyl) -4-nitrobenzamide
sc-267400	4-Chloro-3-nitrobenzamide
sc-267601	4-methoxy-3-nitrobenzamide

Catalog	Name
PC103829-01	4-Fluoro-2-nitrobenzamide
PC1005741-01	2-Fluoro-4-nitrobenzamide
DAA55652-01	3-Fluoro-4-nitrobenzamide
432392-01	4-Fluoro-3-nitrobenzamide
418037-01	2-Fluoro-N-methyl-4-nitrobenzamide
PC49450-01	2-Fluoro-4-methyl-5-nitrobenzamide
PC1005652-01	4-Fluoro-N-methyl-2-nitrobenzamide
PC903880-01	2-Fluoro-N-methyl-4-nitrobenzamide
436513-01	5-Fluoro-2-nitrobenzamide
417945-01	2-Fluoro-5-nitrobenzamide