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2-Cyclopropyl-4-fluorobenzaldehyde

CAT: 0926-XSC22354-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XSC22354-01Size:50 mg
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CAS Number
1697223-54-3
MDL Number
MFCD31435756
Smiles
C1CC1C2=C (C=CC (=C2) F) C=O
Molecular Formula
C10H9FO
Molecular Weight
164.18 g/mol
Controlled
No

Chemical Information

2-Cyclopropyl-4-fluorobenzaldehyde
CAS Number1697223-54-3
PubChem CID54441213
IUPAC Name2-cyclopropyl-4-fluorobenzaldehyde
Molecular FormulaC10H9FO
Molecular Weight164.18
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
C1CC1C2=C(C=CC(=C2)F)C=O
InChI
InChI=1S/C10H9FO/c11-9-4-3-8(6-12)10(5-9)7-1-2-7/h3-7H,1-2H2
InChIKey
WOFJMASYXAOZGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopropyl-4-fluorobenzaldehyde
CAS: 1697223-54-3
CID: 54441213
Formula: C10H9FO
MW: 164.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.18
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.063743068
Monoisotopic Mass164.063743068
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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

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Alternative Products

CatalogName
PC99691-012-Cyclopropyl-4-fluorobenzaldehyde
PC1022432-014-Cyclopropyl-3-fluorobenzaldehyde
PC10253623-Cyclopropyl-4-fluorobenzaldehyde
PC1023405-015-Cyclopropyl-2-fluorobenzaldehyde
sc-2771954-Chloro-2-fluorobenzaldehyde
PC10253362-ethoxy-4-fluorobenzaldehyde
PC1828D-012-Chloro-4-fluorobenzaldehyde
sc-3210452- (Cyclopropylmethoxy) -4-fluorobenzaldehyde
sc-2566944-Bromo-2-fluorobenzaldehyde
sc-259609A2-Bromo-4-fluorobenzaldehyde

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