Name: Name:(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
Brand: Angene
SKU: AG01EM59
Rating: 90 (10 reviews)

(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid

CAS No.:

519137-39-4

Catalog Number:

AG01EM59

Molecular Formula:

C18H13FN2O2

Molecular Weight:

308.3064

Catalog Number:

AG01EM59

Chemical Name:

(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid

CAS Number:

519137-39-4

Molecular Formula:

C18H13FN2O2

Molecular Weight:

308.3064

MDL Number:

MFCD02705652

IUPAC Name:

(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid

InChI:

InChI=1S/C18H13FN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-12H,(H,22,23)/b11-8+

InChI Key:

AYWXEYLKLHHKTH-DHZHZOJOSA-N

SMILES:

OC(=O)/C=C/c1cn(nc1c1ccc(cc1)F)c1ccccc1

Complexity:

429

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.312g/mol

Monoisotopic Mass:

308.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6