Home Sulfos Methyl 4-aMino-3-Methanesulfonylbenzoate

Methyl 4-aMino-3-Methanesulfonylbenzoate

CAS No.:
404964-28-9
Catalog Number:
AG00CJL1
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG00CJL1
Chemical Name:
Methyl 4-aMino-3-Methanesulfonylbenzoate
CAS Number:
404964-28-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD28013983
IUPAC Name:
methyl 4-amino-3-methylsulfonylbenzoate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)6-3-4-7(10)8(5-6)15(2,12)13/h3-5H,10H2,1-2H3
InChI Key:
MQEHZIIXZHVUQS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)S(=O)(=O)C)N
Properties
Complexity:
333  
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:
3  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties