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67858-52-0 | 1-methyl-5-(trichloroacetyl)-1H-pyrrole-3-carbaldehyde
CAS No: 67858-52-0 Catalog No: AG01BCRC MDL No:MFCD24137905
Product Description
Catalog Number:
AG01BCRC
Chemical Name:
1-methyl-5-(trichloroacetyl)-1H-pyrrole-3-carbaldehyde
CAS Number:
67858-52-0
Molecular Formula:
C8H6Cl3NO2
Molecular Weight:
254.4977
MDL Number:
MFCD24137905
IUPAC Name:
1-methyl-5-(2,2,2-trichloroacetyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C8H6Cl3NO2/c1-12-3-5(4-13)2-6(12)7(14)8(9,10)11/h2-4H,1H3
InChI Key:
SXWJEGYHPGIILR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1)C)C(=O)C(Cl)(Cl)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.491g/mol
Monoisotopic Mass:
252.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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