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31816-72-5 | Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]-
CAS No: 31816-72-5 Catalog No: AG007IFH MDL No:
Product Description
Catalog Number:
AG007IFH
Chemical Name:
Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]-
CAS Number:
31816-72-5
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
IUPAC Name:
4-[2-(dimethylamino)ethylsulfamoyl]benzoic acid
InChI:
InChI=1S/C11H16N2O4S/c1-13(2)8-7-12-18(16,17)10-5-3-9(4-6-10)11(14)15/h3-6,12H,7-8H2,1-2H3,(H,14,15)
InChI Key:
PXCYVRHHRXRMKQ-UHFFFAOYSA-N
SMILES:
CN(CCNS(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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