3-Fluoro-4-nitroanisole

CAT: 0127-PC2959-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC2959-01Size:5 g

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CAS Number

446-38-8

Synonyms

2-Fluoro-4-methoxynitrobenzene, 3-Fluoro-4-nitrophenyl methyl ether

MDL Number

MFCD04115632

Purity

98%

Smiles

COc1ccc(c(F)c1)[N+](=O)[O-]

Chemical Information

3-Fluoro-4-nitroanisole

CAS Number	446-38-8
PubChem CID	565654
IUPAC Name	2-fluoro-4-methoxy-1-nitrobenzene
Molecular Formula	C7H6FNO3
Molecular Weight	171.13
XLogP	1.9
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])F

InChI

InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

InChIKey

PLEJCMKVJYUUBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 446-38-8

CID: 565654

Formula: C7H6FNO3

MW: 171.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.13
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	171.03317122
Monoisotopic Mass	171.03317122
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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
PC400727-01	4-Fluoro-3-nitroanisole
PC3882-01	2-Fluoro-4-nitroanisole
PC3883-01	4-Fluoro-2-nitroanisole
PC502342-01	3-Bromo-4-fluoro-2-nitroanisole
PC101137-01	4-Bromo-3-fluoro-2-nitroanisole
PC3402-01	3-Fluoro-2-nitroanisole
PC902146-01	3-Fluoro-5-nitroanisole
PC56128-01	2-Bromo-4-fluoro-3-methyl-6-nitroanisole
PC9550-01	4-Bromo-2-fluoro-6-nitroanisole
PC500181-01	5-Bromo-4-fluoro-2-nitroanisole