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117239-82-4 | Benzeneacetic acid, 2-[(methylsulfonyl)amino]-, methyl ester
CAS No: 117239-82-4 Catalog No: AG000DYW MDL No:MFCD18071005
Product Description
Catalog Number:
AG000DYW
Chemical Name:
Benzeneacetic acid, 2-[(methylsulfonyl)amino]-, methyl ester
CAS Number:
117239-82-4
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD18071005
IUPAC Name:
methyl 2-[2-(methanesulfonamido)phenyl]acetate
InChI:
InChI=1S/C10H13NO4S/c1-15-10(12)7-8-5-3-4-6-9(8)11-16(2,13)14/h3-6,11H,7H2,1-2H3
InChI Key:
GGXQFGLHGRJPJI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccc1NS(=O)(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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