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2-Chloro-benzeneacetaldehyde

CAT: 0572-TRC-C375155-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C375155-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4251-63-2
Hazard Statement
No Data Available
Smiles
Clc1ccccc1CC=O
Molecular Formula
C8 H7 Cl O
Molecular Weight
154.594
InChI
InChI=1S/C8H7ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
Additionnal Information
IUPAC name: 2-(2-chlorophenyl)acetaldehyde
Shipping Conditions
Room Temperature

Chemical Information

2-(2-Chlorophenyl)acetaldehyde
CAS Number4251-63-2
PubChem CID11378624
IUPAC Name2-(2-chlorophenyl)acetaldehyde
Molecular FormulaC8H7ClO
Molecular Weight154.59
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
C1=CC=C(C(=C1)CC=O)Cl
InChI
InChI=1S/C8H7ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
InChIKey
NTLKDYQFUMXRNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chlorophenyl)acetaldehyde
CAS: 4251-63-2
CID: 11378624
Formula: C8H7ClO
MW: 154.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.59
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass154.0185425
Monoisotopic Mass154.0185425
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
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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