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885269-85-2 | Benzoicacid, 3-[[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino]-
CAS No: 885269-85-2 Catalog No: AG00474F MDL No:
Product Description
Catalog Number:
AG00474F
Chemical Name:
Benzoicacid, 3-[[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino]-
CAS Number:
885269-85-2
Molecular Formula:
C20H17NO4S
Molecular Weight:
367.4183
IUPAC Name:
3-[[4-(4-methylphenyl)phenyl]sulfonylamino]benzoic acid
InChI:
InChI=1S/C20H17NO4S/c1-14-5-7-15(8-6-14)16-9-11-19(12-10-16)26(24,25)21-18-4-2-3-17(13-18)20(22)23/h2-13,21H,1H3,(H,22,23)
InChI Key:
XCBCVFOAJDITJV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.088g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.419g/mol
Monoisotopic Mass:
367.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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