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Home > Aldehydes > 260442-97-5
260442-97-5 | 1H-Pyrrole-2-carboxaldehyde, 1-[4-(trifluoromethoxy)phenyl]-
CAS No: 260442-97-5 Catalog No: AG002RHL MDL No:MFCD01571170
Product Description
Catalog Number:
AG002RHL
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-[4-(trifluoromethoxy)phenyl]-
CAS Number:
260442-97-5
Molecular Formula:
C12H8F3NO2
Molecular Weight:
255.1926
MDL Number:
MFCD01571170
IUPAC Name:
1-[4-(trifluoromethoxy)phenyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H8F3NO2/c13-12(14,15)18-11-5-3-9(4-6-11)16-7-1-2-10(16)8-17/h1-8H
InChI Key:
FXVABXRDJLSWJD-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.196g/mol
Monoisotopic Mass:
255.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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