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3-Methoxy-4-methyl-2-nitropyridine

CAT: 0572-TRC-M330628-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M330628-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155789-92-7
Hazard Statement
No Data Available
Smiles
COc1c(C)ccnc1N(=O)=O
Molecular Formula
C7 H8 N2 O3
Molecular Weight
168.15
InChI
InChI=1S/C7H8N2O3/c1-5-3-4-8-7(9(10)11)6(5)12-2/h3-4H,1-2H3
Additionnal Information
IUPAC name: 3-methoxy-4-methyl-2-nitropyridine
Shipping Conditions
Room Temperature

Chemical Information

3-Methoxy-4-methyl-2-nitropyridine
CAS Number155789-92-7
PubChem CID14929577
IUPAC Name3-methoxy-4-methyl-2-nitropyridine
Molecular FormulaC7H8N2O3
Molecular Weight168.15
XLogP1.4
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
CC1=C(C(=NC=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C7H8N2O3/c1-5-3-4-8-7(9(10)11)6(5)12-2/h3-4H,1-2H3
InChIKey
LNAFAKGSYGVWPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-4-methyl-2-nitropyridine
CAS: 155789-92-7
CID: 14929577
Formula: C7H8N2O3
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.05349212
Monoisotopic Mass168.05349212
Topological Polar Surface Area67.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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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Alternative Products

CatalogName
426253-013-Methoxy-4-methyl-2-nitropyridine
OR2916-012-Methoxy-4-methyl-3-nitropyridine
OR16074-012-Methoxy-4-methyl-5-nitropyridine
sc-3218082-Methoxy-5-methyl-3-nitropyridine
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OR3452072-Methoxy-6-methyl-3-nitropyridine
sc-5063903-Methoxy-2-methyl-6-nitropyridine
EAC16376-013-Bromo-2-methoxy-4-methyl-5-nitropyridine
263073-015-Bromo-2-methoxy-4-methyl-3-nitropyridine
OR94452-012-Chloro-4-methoxy-6-methyl-3-nitropyridine

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