Name: Name:2-Thiophenecarboxylic acid, 5-nitro-3-[(1R)-1-[2-(trifluoroMethyl)phenyl]ethoxy]-, Methyl ester
Brand: Angene
SKU: AG00GTZE
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 5-nitro-3-[(1R)-1-[2-(trifluoroMethyl)phenyl]ethoxy]-, Methyl ester

CAS No.:

929039-94-1

Catalog Number:

AG00GTZE

Molecular Formula:

C15H12F3NO5S

Molecular Weight:

375.3197

Catalog Number:

AG00GTZE

Chemical Name:

2-Thiophenecarboxylic acid, 5-nitro-3-[(1R)-1-[2-(trifluoroMethyl)phenyl]ethoxy]-, Methyl ester

CAS Number:

929039-94-1

Molecular Formula:

C15H12F3NO5S

Molecular Weight:

375.3197

IUPAC Name:

methyl 5-nitro-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

InChI:

InChI=1S/C15H12F3NO5S/c1-8(9-5-3-4-6-10(9)15(16,17)18)24-11-7-12(19(21)22)25-13(11)14(20)23-2/h3-8H,1-2H3/t8-/m1/s1

InChI Key:

KLEJCIQBFZNRSX-MRVPVSSYSA-N

SMILES:

COC(=O)c1sc(cc1O[C@@H](c1ccccc1C(F)(F)F)C)[N+](=O)[O-]

Complexity:

499

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

375.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

375.318g/mol

Monoisotopic Mass:

375.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7