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N- (4-iodophenyl) cyclopropanecarboxamide

CAT: 0926-FI168865-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FI168865-01Size:10 g
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CAS Number
23779-17-1
MDL Number
MFCD01327898
Smiles
C1CC1C (=O) NC2=CC=C (C=C2) I
Controlled
No

Chemical Information

N-(4-iodophenyl)cyclopropanecarboxamide
CAS Number23779-17-1
PubChem CID695702
IUPAC NameN-(4-iodophenyl)cyclopropanecarboxamide
Molecular FormulaC10H10INO
Molecular Weight287.10
XLogP3.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1CC1C(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C10H10INO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKey
OWRJMRAKRDWZHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-iodophenyl)cyclopropanecarboxamide
CAS: 23779-17-1
CID: 695702
Formula: C10H10INO
MW: 287.10
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight287.10
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass286.98071
Monoisotopic Mass286.98071
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
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