Name: Name:Methyl 3'-(ethylsulfonyl)-4-Methyl-5-nitrobiphenyl-3-carboxylate
Brand: Angene
SKU: AG008THW
Rating: 90 (10 reviews)

Methyl 3'-(ethylsulfonyl)-4-Methyl-5-nitrobiphenyl-3-carboxylate

CAS No.:

1005499-49-9

Catalog Number:

AG008THW

Molecular Formula:

C17H17NO6S

Molecular Weight:

363.3850

Catalog Number:

AG008THW

Chemical Name:

Methyl 3'-(ethylsulfonyl)-4-Methyl-5-nitrobiphenyl-3-carboxylate

CAS Number:

1005499-49-9

Molecular Formula:

C17H17NO6S

Molecular Weight:

363.3850

MDL Number:

MFCD22124624

IUPAC Name:

methyl 5-(3-ethylsulfonylphenyl)-2-methyl-3-nitrobenzoate

InChI:

InChI=1S/C17H17NO6S/c1-4-25(22,23)14-7-5-6-12(8-14)13-9-15(17(19)24-3)11(2)16(10-13)18(20)21/h5-10H,4H2,1-3H3

InChI Key:

ZGABESXJCIMQSM-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cc(c1C)N(=O)=O)c1cccc(c1)S(=O)(=O)CC

Complexity:

593

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

363.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

363.384g/mol

Monoisotopic Mass:

363.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2