Name: Name:2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid
Brand: Angene
SKU: AG019GGX
Rating: 90 (10 reviews)

2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid

CAS No.:

380430-75-1

Catalog Number:

AG019GGX

Molecular Formula:

C11H8F3NO3

Molecular Weight:

259.1813

Catalog Number:

AG019GGX

Chemical Name:

2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid

CAS Number:

380430-75-1

Molecular Formula:

C11H8F3NO3

Molecular Weight:

259.1813

MDL Number:

MFCD03150639

IUPAC Name:

2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]benzoic acid

InChI:

InChI=1S/C11H8F3NO3/c12-11(13,14)9(16)5-6-15-8-4-2-1-3-7(8)10(17)18/h1-6,15H,(H,17,18)

InChI Key:

YQRSWYLDDWXJEQ-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)C=CNc1ccccc1C(=O)O

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.184g/mol

Monoisotopic Mass:

259.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9