Name: Name:Benzenepropanoic acid,4-(chlorosulfonyl)-a,a-dimethyl-, ethyl ester
Brand: Angene
SKU: AG00447C
Rating: 90 (10 reviews)

Benzenepropanoic acid,4-(chlorosulfonyl)-a,a-dimethyl-, ethyl ester

CAS No.:

887355-04-6

Catalog Number:

AG00447C

Molecular Formula:

C13H17ClO4S

Molecular Weight:

304.7897

Catalog Number:

AG00447C

Chemical Name:

Benzenepropanoic acid,4-(chlorosulfonyl)-a,a-dimethyl-, ethyl ester

CAS Number:

887355-04-6

Molecular Formula:

C13H17ClO4S

Molecular Weight:

304.7897

MDL Number:

MFCD07369384

IUPAC Name:

ethyl 3-(4-chlorosulfonylphenyl)-2,2-dimethylpropanoate

InChI:

InChI=1S/C13H17ClO4S/c1-4-18-12(15)13(2,3)9-10-5-7-11(8-6-10)19(14,16)17/h5-8H,4,9H2,1-3H3

InChI Key:

JELQKGCZSKGTBM-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1ccc(cc1)S(=O)(=O)Cl)(C)C

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

304.785g/mol

Monoisotopic Mass:

304.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3