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2-Methoxy-5-nitroformanilide

CAT: 0572-TRC-M264870-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M264870-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149686-06-6
Hazard Statement
No Data Available
Smiles
COc1ccc(cc1NC=O)[N+](=O)[O-]
Molecular Formula
C8 H8 N2 O4
Molecular Weight
196.16
InChI
InChI=1S/C8H8N2O4/c1-14-8-3-2-6(10(12)13)4-7(8)9-5-11/h2-5H,1H3,(H,9,11)
Additionnal Information
IUPAC name: N-(2-methoxy-5-nitrophenyl)formamide
Shipping Conditions
Ice Packs

Chemical Information

2'-Methoxy-5'-nitroformanilide
CAS Number149686-06-6
PubChem CID264510
IUPAC NameN-(2-methoxy-5-nitrophenyl)formamide
Molecular FormulaC8H8N2O4
Molecular Weight196.16
XLogP1.3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NC=O
InChI
InChI=1S/C8H8N2O4/c1-14-8-3-2-6(10(12)13)4-7(8)9-5-11/h2-5H,1H3,(H,9,11)
InChIKey
WMFURCICLSTGEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Methoxy-5'-nitroformanilide
CAS: 149686-06-6
CID: 264510
Formula: C8H8N2O4
MW: 196.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass196.04840674
Monoisotopic Mass196.04840674
Topological Polar Surface Area84.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
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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