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137505-05-6 | Benzoic acid, 4-[[(phenylsulfonyl)imino]methyl]-
CAS No: 137505-05-6 Catalog No: AG0013EA MDL No:
Product Description
Catalog Number:
AG0013EA
Chemical Name:
Benzoic acid, 4-[[(phenylsulfonyl)imino]methyl]-
CAS Number:
137505-05-6
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
IUPAC Name:
4-(benzenesulfonyliminomethyl)benzoic acid
InChI:
InChI=1S/C14H11NO4S/c16-14(17)12-8-6-11(7-9-12)10-15-20(18,19)13-4-2-1-3-5-13/h1-10H,(H,16,17)
InChI Key:
WJCNUIDVUAOPNU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C=NS(=O)(=O)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.305g/mol
Monoisotopic Mass:
289.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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