Name: Name:4-(4-Bromo-2-fluorophenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG01DTFR
Rating: 90 (10 reviews)

4-(4-Bromo-2-fluorophenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester

CAS No.:

937014-34-1

Catalog Number:

AG01DTFR

Molecular Formula:

C15H20BrFN2O4S

Molecular Weight:

423.2977

Catalog Number:

AG01DTFR

Chemical Name:

4-(4-Bromo-2-fluorophenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester

CAS Number:

937014-34-1

Molecular Formula:

C15H20BrFN2O4S

Molecular Weight:

423.2977

IUPAC Name:

tert-butyl 4-(4-bromo-2-fluorophenyl)sulfonylpiperazine-1-carboxylate

InChI:

InChI=1S/C15H20BrFN2O4S/c1-15(2,3)23-14(20)18-6-8-19(9-7-18)24(21,22)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3

InChI Key:

KJIIGGDRZPNWLW-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)F)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

553

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

422.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

423.297g/mol

Monoisotopic Mass:

422.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5