Name: Name:2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
Brand: Angene
SKU: AG019IVW
Rating: 90 (10 reviews)

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

CAS No.:

736949-15-8

Catalog Number:

AG019IVW

Molecular Formula:

C16H13FN2O2

Molecular Weight:

284.2850

Catalog Number:

AG019IVW

Chemical Name:

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

CAS Number:

736949-15-8

Molecular Formula:

C16H13FN2O2

Molecular Weight:

284.2850

MDL Number:

MFCD06655009

IUPAC Name:

2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid

InChI:

InChI=1S/C16H13FN2O2/c1-10-7-12(8-13(9-18)16(20)21)11(2)19(10)15-6-4-3-5-14(15)17/h3-8H,1-2H3,(H,20,21)

InChI Key:

GWHMXMMDGPZBAN-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1cc(n(c1C)c1ccccc1F)C)C(=O)O

Complexity:

482

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.29g/mol

Monoisotopic Mass:

284.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1