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Home > Aldehydes > 327085-05-2
327085-05-2 | 1-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 327085-05-2 Catalog No: AG007IYN MDL No:MFCD02707508
Product Description
Catalog Number:
AG007IYN
Chemical Name:
1-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
327085-05-2
Molecular Formula:
C14H11ClF3NO
Molecular Weight:
301.6914
MDL Number:
MFCD02707508
IUPAC Name:
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H11ClF3NO/c1-8-5-10(7-20)9(2)19(8)13-6-11(14(16,17)18)3-4-12(13)15/h3-7H,1-2H3
InChI Key:
LSPYILGYUXGISH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1cc(ccc1Cl)C(F)(F)F)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.693g/mol
Monoisotopic Mass:
301.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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