Name: Name:methyl (1r,3r)-3-(chlorosulfonyl)-1-phenylcyclobutane-1-carboxylate, Mixture of diastereomers
Brand: Angene
SKU: AG01EIVQ
Rating: 90 (10 reviews)

methyl (1r,3r)-3-(chlorosulfonyl)-1-phenylcyclobutane-1-carboxylate, Mixture of diastereomers

CAS No.:

2137087-38-6

Catalog Number:

AG01EIVQ

Molecular Formula:

C12H13ClO4S

Molecular Weight:

288.7472

Catalog Number:

AG01EIVQ

Chemical Name:

methyl (1r,3r)-3-(chlorosulfonyl)-1-phenylcyclobutane-1-carboxylate, Mixture of diastereomers

CAS Number:

2137087-38-6

Molecular Formula:

C12H13ClO4S

Molecular Weight:

288.7472

MDL Number:

MFCD31628952

IUPAC Name:

methyl 3-chlorosulfonyl-1-phenylcyclobutane-1-carboxylate

InChI:

InChI=1S/C12H13ClO4S/c1-17-11(14)12(9-5-3-2-4-6-9)7-10(8-12)18(13,15)16/h2-6,10H,7-8H2,1H3

InChI Key:

IYWRLDKNXDWNCT-UHFFFAOYSA-N

SMILES:

COC(=O)[C@@]1(C[C@H](C1)S(=O)(=O)Cl)c1ccccc1

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.742g/mol

Monoisotopic Mass:

288.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3