Name: Name:2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}prop-2-enoic acid
Brand: Angene
SKU: AG019PMX
Rating: 90 (10 reviews)

2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}prop-2-enoic acid

CAS No.:

736949-14-7

Catalog Number:

AG019PMX

Molecular Formula:

C17H13F3N2O2

Molecular Weight:

334.2925

Catalog Number:

AG019PMX

Chemical Name:

2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}prop-2-enoic acid

CAS Number:

736949-14-7

Molecular Formula:

C17H13F3N2O2

Molecular Weight:

334.2925

MDL Number:

MFCD07286702

IUPAC Name:

2-cyano-3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]prop-2-enoic acid

InChI:

InChI=1S/C17H13F3N2O2/c1-10-6-12(7-13(9-21)16(23)24)11(2)22(10)15-5-3-4-14(8-15)17(18,19)20/h3-8H,1-2H3,(H,23,24)

InChI Key:

XVDPUDQRMRIJHA-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)C(=O)O

Complexity:

564

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.298g/mol

Monoisotopic Mass:

334.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9