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3-Chloro-2-fluorobenzaldehyde

CAT: 0926-FC64003-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FC64003-01Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85070-48-0
MDL Number
MFCD01631571
Smiles
C1=CC (=C (C (=C1) Cl) F) C=O
Molecular Formula
C7H4ClFO
Molecular Weight
158.56 g/mol
Controlled
No

Chemical Information

3-Chloro-2-fluorobenzaldehyde
CAS Number85070-48-0
PubChem CID736335
IUPAC Name3-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(=C1)Cl)F)C=O
InChI
InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
YAOZCMANASAVFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-2-fluorobenzaldehyde
CAS: 85070-48-0
CID: 736335
Formula: C7H4ClFO
MW: 158.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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