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112941-26-1 | Methyl 2-(sulfamoylmethyl)benzoate
CAS No: 112941-26-1 Catalog No: AG003TFV MDL No:MFCD03265370
Product Description
Catalog Number:
AG003TFV
Chemical Name:
Methyl 2-(sulfamoylmethyl)benzoate
CAS Number:
112941-26-1
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD03265370
IUPAC Name:
methyl 2-(sulfamoylmethyl)benzoate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)
InChI Key:
DBOUFTHAEAVMJC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CS(=O)(=O)N
EC Number:
419-010-5
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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