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2-Fluoro-6-nitroanisole

CAT: 0572-TRC-F594445-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F594445-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
484-94-6
Synonyms
2-Fluoro-6-nitroanisole
Hazard Statement
No Data Available
Smiles
COc1c(F)cccc1[N+](=O)[O-]
Molecular Formula
C7 H6 F N O3
Molecular Weight
171.126
InChI
InChI=1S/C7H6FNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
Additionnal Information
IUPAC name: 1-fluoro-2-methoxy-3-nitrobenzene
Shipping Conditions
Room Temperature

Chemical Information

2-Fluoro-6-nitroanisole
CAS Number484-94-6
PubChem CID598606
IUPAC Name1-fluoro-2-methoxy-3-nitrobenzene
Molecular FormulaC7H6FNO3
Molecular Weight171.13
XLogP1.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
COC1=C(C=CC=C1F)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChIKey
RVPBBFKWSJLAPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-6-nitroanisole
CAS: 484-94-6
CID: 598606
Formula: C7H6FNO3
MW: 171.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.13
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass171.03317122
Monoisotopic Mass171.03317122
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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