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89704-57-4 | Benzoic acid, 2-methoxy-5-[(phenylamino)sulfonyl]-
CAS No: 89704-57-4 Catalog No: AG00449W MDL No:
Product Description
Catalog Number:
AG00449W
Chemical Name:
Benzoic acid, 2-methoxy-5-[(phenylamino)sulfonyl]-
CAS Number:
89704-57-4
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
IUPAC Name:
2-methoxy-5-(phenylsulfamoyl)benzoic acid
InChI:
InChI=1S/C14H13NO5S/c1-20-13-8-7-11(9-12(13)14(16)17)21(18,19)15-10-5-3-2-4-6-10/h2-9,15H,1H3,(H,16,17)
InChI Key:
GFPNIQLOYGLHLW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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