Name: Name:Benzoic acid, 3-amino-5-(methylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG001Y5U
Rating: 90 (10 reviews)

Benzoic acid, 3-amino-5-(methylsulfonyl)-, methyl ester

CAS No.:

168618-23-3

Catalog Number:

AG001Y5U

Molecular Formula:

C9H11NO4S

Molecular Weight:

229.2529

Catalog Number:

AG001Y5U

Chemical Name:

Benzoic acid, 3-amino-5-(methylsulfonyl)-, methyl ester

CAS Number:

168618-23-3

Molecular Formula:

C9H11NO4S

Molecular Weight:

229.2529

MDL Number:

MFCD16059720

IUPAC Name:

methyl 3-amino-5-methylsulfonylbenzoate

InChI:

InChI=1S/C9H11NO4S/c1-14-9(11)6-3-7(10)5-8(4-6)15(2,12)13/h3-5H,10H2,1-2H3

InChI Key:

OZNYNYIYWUOJRR-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(N)cc(c1)S(=O)(=O)C

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.25g/mol

Monoisotopic Mass:

229.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3