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2'-Nitro-p-acetanisidide

CAT: 0572-TRC-N490285-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N490285-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-81-3
Synonyms
2'-Nitro-4'-methoxyacetanilide; 4-Acetamido-1-methoxy-3-nitrobenzene; 4-Acetylamino-1-methoxy-3-nitrobenzene; 4-Methoxy-2-nitroacetanilide; N-(4-Methoxy-2-nitrophenyl)acetamide-; NSC 5516
Hazard Statement
Harmful if swallowed.
Smiles
COc1ccc(NC(=O)C)c(c1)[N+](=O)[O-]
Molecular Formula
C9H10N2O4
Molecular Weight
210.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CAS Number119-81-3
PubChem CID67075
IUPAC NameN-(4-methoxy-2-nitrophenyl)acetamide
Molecular FormulaC9H10N2O4
Molecular Weight210.19
XLogP1.1
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity251
SMILES
CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)
InChIKey
QGEGALJODPBPGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(4-methoxy-2-nitrophenyl)-
CAS: 119-81-3
CID: 67075
Formula: C9H10N2O4
MW: 210.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.19
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass210.06405680
Monoisotopic Mass210.06405680
Topological Polar Surface Area84.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity251
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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