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N- (2,4-Dichlorophenyl) -2-methoxybenzamide

CAT: 0127-OR81061-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR81061-01Size:250 mg
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CAS Number
331435-43-9
MDL Number
MFCD00751422
Purity
99%
Smiles
O=C(NC1=CC=C(Cl)C=C1Cl)C2=CC=CC=C2OC

Chemical Information

N-(2,4-dichlorophenyl)-2-methoxybenzamide
CAS Number331435-43-9
PubChem CID814241
IUPAC NameN-(2,4-dichlorophenyl)-2-methoxybenzamide
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.1
XLogP4.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity314
SMILES
COC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO2/c1-19-13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18)
InChIKey
NRAIGHFXYPOMJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-dichlorophenyl)-2-methoxybenzamide
CAS: 331435-43-9
CID: 814241
Formula: C14H11Cl2NO2
MW: 296.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.1
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass295.0166840
Monoisotopic Mass295.0166840
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity314
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