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2- (4-Fluorophenyl) cyclopropanecarboxamide

CAT: 0127-PC1004802-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1004802-01Size:100 mg
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CAS Number
1374509-48-4
Purity
97%
Smiles
O=C(C1C(C2=CC=C(F)C=C2)C1)N

Chemical Information

2-(4-Fluorophenyl)cyclopropanecarboxamide
CAS Number1374509-48-4
PubChem CID66485215
IUPAC Name2-(4-fluorophenyl)cyclopropane-1-carboxamide
Molecular FormulaC10H10FNO
Molecular Weight179.19
XLogP1.1
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity211
SMILES
C1C(C1C(=O)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H10FNO/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)
InChIKey
STWWQOVXTPFRIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Fluorophenyl)cyclopropanecarboxamide
CAS: 1374509-48-4
CID: 66485215
Formula: C10H10FNO
MW: 179.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.19
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass179.074642105
Monoisotopic Mass179.074642105
Topological Polar Surface Area43.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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