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80036-89-1 | Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
CAS No: 80036-89-1 Catalog No: AG0055GD MDL No:MFCD07787259
Product Description
Catalog Number:
AG0055GD
Chemical Name:
Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
CAS Number:
80036-89-1
Molecular Formula:
C11H15NO5S
Molecular Weight:
273.3055
MDL Number:
MFCD07787259
IUPAC Name:
methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate
InChI:
InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3
InChI Key:
BBWJVKZAKHIKRQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC
EC Number:
616-818-1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.303g/mol
Monoisotopic Mass:
273.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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