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Home Aldehydes 1-(2-Chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

1-(2-Chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

CAS No.:
119673-49-3
Catalog Number:
AG000PFI
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$129
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Product Description
Catalog Number:
AG000PFI
Chemical Name:
1-(2-Chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde
CAS Number:
119673-49-3
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
MDL Number:
MFCD02629508
IUPAC Name:
1-(2-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H12ClNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,1-2H3
InChI Key:
RKUALNOCZYTDIV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccccc1Cl)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.695g/mol
Monoisotopic Mass:
233.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
N-(o-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde. Acta crystallographica. Section C, Crystal structure communications 20030701
Properties