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3,5-Dimethoxy-2-nitroaniline

CAT: 0572-TRC-D356995-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D356995-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192696-43-8
Hazard Statement
No Data Available
Smiles
COc1cc(N)c(c(OC)c1)N(=O)=O
Molecular Formula
C8 H10 N2 O4
Molecular Weight
198.176
InChI
InChI=1S/C8H10N2O4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,9H2,1-2H3
Additionnal Information
IUPAC name: 3,5-dimethoxy-2-nitroaniline
Shipping Conditions
Room Temperature

Chemical Information

3,5-Dimethoxy-2-nitroaniline
CAS Number192696-43-8
PubChem CID291623
IUPAC Name3,5-dimethoxy-2-nitroaniline
Molecular FormulaC8H10N2O4
Molecular Weight198.18
XLogP1.6
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity206
SMILES
COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,9H2,1-2H3
InChIKey
GWHSFLQGVWEJAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxy-2-nitroaniline
CAS: 192696-43-8
CID: 291623
Formula: C8H10N2O4
MW: 198.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.18
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass198.06405680
Monoisotopic Mass198.06405680
Topological Polar Surface Area90.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity206
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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sc-2383802,5-Dimethoxy-4-nitroaniline
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