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5-Methoxy-2-nitrobenzenamine

CAT: 0572-TRC-M320980-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M320980-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16133-49-6
Synonyms
(5-Methoxy-2-nitrophenyl)amine; 2-Nitro-5-methoxyaniline; 3-Methoxy-6-nitroaniline; 5-Methoxy-2-nitroaniline; 5-Methoxy-2-nitrobenzenamine
Hazard Statement
No Data Available
Smiles
COc1ccc(c(N)c1)[N+](=O)[O-]
Molecular Formula
C7H8N2O3
Molecular Weight
168.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Methoxy-2-nitroaniline
CAS Number16133-49-6
PubChem CID85300
IUPAC Name5-methoxy-2-nitroaniline
Molecular FormulaC7H8N2O3
Molecular Weight168.15
XLogP1.9
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
InChIKey
QEHVRGACCVLLNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-nitroaniline
CAS: 16133-49-6
CID: 85300
Formula: C7H8N2O3
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.05349212
Monoisotopic Mass168.05349212
Topological Polar Surface Area81.1 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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