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Home > Aldehydes > 144890-91-5
144890-91-5 | 1H-Pyrrole-3-carboxaldehyde, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethyl-
CAS No: 144890-91-5 Catalog No: AG001KAJ MDL No:
Product Description
Catalog Number:
AG001KAJ
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethyl-
CAS Number:
144890-91-5
Molecular Formula:
C14H10Cl2F3NO
Molecular Weight:
336.1365
IUPAC Name:
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H10Cl2F3NO/c1-7-3-9(6-21)8(2)20(7)13-11(15)4-10(5-12(13)16)14(17,18)19/h3-6H,1-2H3
InChI Key:
IZOYFORQOPLAFD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1c(Cl)cc(cc1Cl)C(F)(F)F)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.009g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.135g/mol
Monoisotopic Mass:
335.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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