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6- (3,4-dichlorophenyl) nicotinaldehyde

CAT: 0127-OR1094803-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1094803-01Size:250 mg
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CAS Number
898796-05-9
MDL Number
MFCD04115473
Purity
97%
Smiles
C1 (cnc (cc1) c1ccc (c (c1) Cl) Cl) C=O

Chemical Information

6-(3,4-Dichlorophenyl)nicotinaldehyde
CAS Number898796-05-9
PubChem CID21936165
IUPAC Name6-(3,4-dichlorophenyl)pyridine-3-carbaldehyde
Molecular FormulaC12H7Cl2NO
Molecular Weight252.09
XLogP3.2
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity249
SMILES
C1=CC(=C(C=C1C2=NC=C(C=C2)C=O)Cl)Cl
InChI
InChI=1S/C12H7Cl2NO/c13-10-3-2-9(5-11(10)14)12-4-1-8(7-16)6-15-12/h1-7H
InChIKey
ZNQSRAQPCKCNST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3,4-Dichlorophenyl)nicotinaldehyde
CAS: 898796-05-9
CID: 21936165
Formula: C12H7Cl2NO
MW: 252.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.09
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass250.9904692
Monoisotopic Mass250.9904692
Topological Polar Surface Area30 Ų
Heavy Atom Count16
Formal Charge0
Complexity249
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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Alternative Products

CatalogName
sc-321186A2-[ (2,4-Dichlorophenyl) sulfanyl]nicotinaldehyde
sc-2615144- (Tributylstannyl) nicotinaldehyde
sc-325659A6- (4-Formylphenyl) nicotinaldehyde
sc-3056062- (4-Methylphenoxy) nicotinaldehyde
sc-305435A2- (4-Benzylpiperazino) nicotinaldehyde
sc-3256486- (4-Benzylpiperazino) nicotinaldehyde
sc-325670A6- (4-Methylphenoxy) nicotinaldehyde
sc-3207962- (4-Fluorophenyl) nicotinaldehyde
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