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116855-56-2 | Benzoic acid, 4-[(ethylsulfonyl)amino]-
CAS No: 116855-56-2 Catalog No: AG000DBB MDL No:MFCD03764807
Product Description
Catalog Number:
AG000DBB
Chemical Name:
Benzoic acid, 4-[(ethylsulfonyl)amino]-
CAS Number:
116855-56-2
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD03764807
IUPAC Name:
4-(ethylsulfonylamino)benzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-2-15(13,14)10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChI Key:
ZFKRSHTUEJDCLL-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
312
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:
2
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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