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137351-56-5

137351-56-5 | Benzoic acid, 2-[[(methylamino)sulfonyl]amino]-, methyl ester

CAS No: 137351-56-5 Catalog No: AG001367 MDL No:

Product Description

Catalog Number:
AG001367
Chemical Name:
Benzoic acid, 2-[[(methylamino)sulfonyl]amino]-, methyl ester
CAS Number:
137351-56-5
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
methyl 2-(methylsulfamoylamino)benzoate
InChI:
InChI=1S/C9H12N2O4S/c1-10-16(13,14)11-8-6-4-3-5-7(8)9(12)15-2/h3-6,10-11H,1-2H3
InChI Key:
QQKZRWBRHXUAEU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NS(=O)(=O)NC

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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