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N- (4-Chlorophenyl) benzenecarboxamide

CAT: 0926-CAA86682Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-CAA86682Size:2.5 g
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CAS Number
2866-82-2
MDL Number
MFCD00018578
Smiles
C1=CC=C (C=C1) C (=O) NC2=CC=C (C=C2) Cl
Molecular Formula
C13H10ClNO
Molecular Weight
231.68 g/mol
Controlled
No

Chemical Information

Benzamide, N-(4-chlorophenyl)-
CAS Number2866-82-2
PubChem CID96646
IUPAC NameN-(4-chlorophenyl)benzamide
Molecular FormulaC13H10ClNO
Molecular Weight231.68
XLogP3.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity230
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKey
PJFPJLMLHHTWDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, N-(4-chlorophenyl)-
CAS: 2866-82-2
CID: 96646
Formula: C13H10ClNO
MW: 231.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.68
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass231.0450916
Monoisotopic Mass231.0450916
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
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