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(3-Chlorophenyl) acetaldehyde

CAT: 0926-RBA90440-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-RBA90440-02Size:5 g
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CAS Number
41904-40-9
MDL Number
MFCD02261731
Smiles
C1=CC (=CC (=C1) Cl) CC=O
Molecular Formula
C8H7ClO
Molecular Weight
154.59 g/mol
Controlled
No

Chemical Information

2-(3-Chlorophenyl)acetaldehyde
CAS Number41904-40-9
PubChem CID11579165
IUPAC Name2-(3-chlorophenyl)acetaldehyde
Molecular FormulaC8H7ClO
Molecular Weight154.59
XLogP2.2
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(=CC(=C1)Cl)CC=O
InChI
InChI=1S/C8H7ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2
InChIKey
CNBOFJGDTDMTEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenyl)acetaldehyde
CAS: 41904-40-9
CID: 11579165
Formula: C8H7ClO
MW: 154.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.59
XLogP32.2
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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