Name: Name:4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid
Brand: Angene
SKU: AG019MMN
Rating: 90 (10 reviews)

4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

CAS No.:

700372-26-5

Catalog Number:

AG019MMN

Molecular Formula:

C14H11F3N2O4

Molecular Weight:

328.2433

Catalog Number:

AG019MMN

Chemical Name:

4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

CAS Number:

700372-26-5

Molecular Formula:

C14H11F3N2O4

Molecular Weight:

328.2433

MDL Number:

MFCD06655716

IUPAC Name:

4-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid

InChI:

InChI=1S/C14H11F3N2O4/c1-2-23-13(22)10-7-18-19(11(10)14(15,16)17)9-5-3-8(4-6-9)12(20)21/h3-7H,2H2,1H3,(H,20,21)

InChI Key:

AGGCCHPHJBMNRL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)C(=O)O

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.247g/mol

Monoisotopic Mass:

328.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6