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Home > Aldehydes > 797027-60-2
797027-60-2 | 1-[2-(4-Chloro-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde
CAS No: 797027-60-2 Catalog No: AG01EXFL MDL No:
Product Description
Catalog Number:
AG01EXFL
Chemical Name:
1-[2-(4-Chloro-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde
CAS Number:
797027-60-2
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
IUPAC Name:
1-[2-(4-chlorophenoxy)ethyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H12ClNO2/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(15)10-16/h1-7,10H,8-9H2
InChI Key:
LPPOMKDZBVUPHV-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1CCOc1ccc(cc1)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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