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81865-32-9 | N-ACETYL-N-((4-AMINOPHENYL)SULFONYL)GLYCINE ETHYL ESTER
CAS No: 81865-32-9 Catalog No: AG005H0T MDL No:
Product Description
Catalog Number:
AG005H0T
Chemical Name:
N-ACETYL-N-((4-AMINOPHENYL)SULFONYL)GLYCINE ETHYL ESTER
CAS Number:
81865-32-9
Molecular Formula:
C12H16N2O5S
Molecular Weight:
300.3308
IUPAC Name:
ethyl 2-[acetyl-(4-aminophenyl)sulfonylamino]acetate
InChI:
InChI=1S/C12H16N2O5S/c1-3-19-12(16)8-14(9(2)15)20(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8,13H2,1-2H3
InChI Key:
LIATXQVDBCEWRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN(S(=O)(=O)c1ccc(cc1)N)C(=O)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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