3-Nitro-4'-fluorochalcone

CAT: 0127-PC3945Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC3945Size:1 Each

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CAS Number

28081-18-7

MDL Number

MFCD00118829

Purity

98%

Smiles

[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccc(F)cc2)c1

Notes

Intermediate for the synthesis offluorosubstituted flavones, etc.

Chemical Information

3-Nitro-4'-fluorochalcone

CAS Number	28081-18-7
PubChem CID	5702578
IUPAC Name	(E)-1-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Molecular Formula	C15H10FNO3
Molecular Weight	271.24
XLogP	3.4
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	383

SMILES

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

InChI

InChI=1S/C15H10FNO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H/b9-4+

InChIKey

SJRIIEVLCFGBBR-RUDMXATFSA-N

Chemical Structure

2D Structure

CAS: 28081-18-7

CID: 5702578

Formula: C15H10FNO3

MW: 271.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.24
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	271.06447134
Monoisotopic Mass	271.06447134
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	383
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC3942-01	4'-Fluorochalcone
PC0717	4-Fluorochalcone
PC3948	3,4-Dimethoxy-4'-fluorochalcone
PC3946	4-Chloro-4'-fluorochalcone
PC6932	4- (Dimethylamino) -4'-fluorochalcone
PC3944	4-Methoxy-4'-fluorochalcone
PC1791	4-Bromo-4'-fluorochalcone
PC0848	2-Chloro-4-fluorochalcone
PC3943	2-Chloro-4'-fluorochalcone
PC3947	2,4-Dimethoxy-4'-fluorochalcone

Catalog	Name
sc-284236	4-Fluorochalcone
277911-01	4'-Fluorochalcone
270087-01	4-Chloro-4'-fluorochalcone
sc-506910	4- (Dimethylamino) -4'-fluorochalcone
233650-01	4'-Fluorochalcone 99+% (HPLC)
sc-321668	2-Chloro-4-fluorochalcone
MBS6061424-01	3-Nitro-4-toluidine (3-Nitro-4-methylaniline)
N2592-58	3-Nitro-4-hydroxyquinoline (3-Nitro-quinolin-4-ol)
HJB48898-01	3-Nitro-4-sulfamoylbenzamide
N2580	3-Nitro-4-acetamidophenol