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2,3-Dichloro-5-fluorobenzaldehyde

CAT: 0926-DXC82037-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DXC82037-01Size:50 mg
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CAS Number
1803820-37-2
MDL Number
MFCD28785954
Smiles
C1=C (C=C (C (=C1C=O) Cl) Cl) F
Molecular Formula
C7H3Cl2FO
Molecular Weight
193 g/mol
Controlled
No

Chemical Information

2,3-Dichloro-5-fluorobenzaldehyde
CAS Number1803820-37-2
PubChem CID118993589
IUPAC Name2,3-dichloro-5-fluorobenzaldehyde
Molecular FormulaC7H3Cl2FO
Molecular Weight193.00
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C(=C1C=O)Cl)Cl)F
InChI
InChI=1S/C7H3Cl2FO/c8-6-2-5(10)1-4(3-11)7(6)9/h1-3H
InChIKey
KKBUXFKZAJQORK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichloro-5-fluorobenzaldehyde
CAS: 1803820-37-2
CID: 118993589
Formula: C7H3Cl2FO
MW: 193.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.00
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass191.9544983
Monoisotopic Mass191.9544983
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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