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4-Chloro-2-fluorobenzaldehyde

CAT: 0926-FC64005-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FC64005-01Size:100 g
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CAS Number
61072-56-8
MDL Number
MFCD00143282
Smiles
C1=CC (=C (C=C1Cl) F) C=O
Molecular Formula
C7H4ClFO
Molecular Weight
158.56 g/mol
Controlled
No

Chemical Information

4-Chloro-2-fluorobenzaldehyde
CAS Number61072-56-8
PubChem CID2724908
IUPAC Name4-chloro-2-fluorobenzaldehyde
Molecular FormulaC7H4ClFO
Molecular Weight158.56
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CC(=C(C=C1Cl)F)C=O
InChI
InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKey
UVGYSEIWAOOIJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-fluorobenzaldehyde
CAS: 61072-56-8
CID: 2724908
Formula: C7H4ClFO
MW: 158.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.56
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass157.9934706
Monoisotopic Mass157.9934706
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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