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37118-21-1 | Benzoic acid, 2-[4-[(4-methylphenyl)sulfonyl]-5-oxazolyl]-
CAS No: 37118-21-1 Catalog No: AG007AZT MDL No:
Product Description
Catalog Number:
AG007AZT
Chemical Name:
Benzoic acid, 2-[4-[(4-methylphenyl)sulfonyl]-5-oxazolyl]-
CAS Number:
37118-21-1
Molecular Formula:
C17H13NO5S
Molecular Weight:
343.3538
IUPAC Name:
2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]benzoic acid
InChI:
InChI=1S/C17H13NO5S/c1-11-6-8-12(9-7-11)24(21,22)16-15(23-10-18-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChI Key:
BTZOYBNRYUQASO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ncoc1c1ccccc1C(=O)O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.353g/mol
Monoisotopic Mass:
343.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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