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N- (3-Nitrophenethyl) Acetamide

CAT: 1299-RG-A261166-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261166-01Size:10 mg
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CAS Number
135365-07-0
Synonyms
N- (3-nitrophenethyl) acetamide
Molecular Formula
C10H12N2O3
Molecular Weight
208.22
Product Name Synonym
N- (3-nitrophenethyl) acetamide

Chemical Information

N-(3-Nitrophenethyl)acetamide
CAS Number135365-07-0
PubChem CID22674066
IUPAC NameN-[2-(3-nitrophenyl)ethyl]acetamide
Molecular FormulaC10H12N2O3
Molecular Weight208.21
XLogP1.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
CC(=O)NCCC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-8(13)11-6-5-9-3-2-4-10(7-9)12(14)15/h2-4,7H,5-6H2,1H3,(H,11,13)
InChIKey
QWEDBNQVADDNBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Nitrophenethyl)acetamide
CAS: 135365-07-0
CID: 22674066
Formula: C10H12N2O3
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass208.08479225
Monoisotopic Mass208.08479225
Topological Polar Surface Area74.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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