Name: Name:dimethyl 3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)cyclopent-3-ene-1,1-dicarboxylate
Brand: Angene
SKU: AG01DGGU
Rating: 90 (10 reviews)

dimethyl 3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)cyclopent-3-ene-1,1-dicarboxylate

CAS No.:

159429-83-1

Catalog Number:

AG01DGGU

Molecular Formula:

C22H21FO6S

Molecular Weight:

432.4619

Catalog Number:

AG01DGGU

Chemical Name:

dimethyl 3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)cyclopent-3-ene-1,1-dicarboxylate

CAS Number:

159429-83-1

Molecular Formula:

C22H21FO6S

Molecular Weight:

432.4619

MDL Number:

MFCD31803794

IUPAC Name:

dimethyl 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate

InChI:

InChI=1S/C22H21FO6S/c1-28-20(24)22(21(25)29-2)12-18(14-4-8-16(23)9-5-14)19(13-22)15-6-10-17(11-7-15)30(3,26)27/h4-11H,12-13H2,1-3H3

InChI Key:

DMNYXPUOQSXAER-UHFFFAOYSA-N

SMILES:

COC(=O)C1(CC(=C(C1)c1ccc(cc1)F)c1ccc(cc1)S(=O)(=O)C)C(=O)OC

Complexity:

780

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

432.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

432.462g/mol

Monoisotopic Mass:

432.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8