Name: Name:1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG002IWU
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-

CAS No.:

207233-99-6

Catalog Number:

AG002IWU

Molecular Formula:

C14H12F3NO

Molecular Weight:

267.2464

Catalog Number:

AG002IWU

Chemical Name:

1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-

CAS Number:

207233-99-6

Molecular Formula:

C14H12F3NO

Molecular Weight:

267.2464

MDL Number:

MFCD00192093

IUPAC Name:

2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde

InChI:

InChI=1S/C14H12F3NO/c1-9-6-11(8-19)10(2)18(9)13-5-3-4-12(7-13)14(15,16)17/h3-8H,1-2H3

InChI Key:

JHWUPSAKKXZTKT-UHFFFAOYSA-N

SMILES:

O=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.251g/mol

Monoisotopic Mass:

267.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5