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170861-68-4 | 2-(5-methyl-2-phenyloxazol-4-yl)ethyl 4-methylbenzenesulfonate
CAS No: 170861-68-4 Catalog No: AG00AN44 MDL No:MFCD20527971
Product Description
Catalog Number:
AG00AN44
Chemical Name:
2-(5-methyl-2-phenyloxazol-4-yl)ethyl 4-methylbenzenesulfonate
CAS Number:
170861-68-4
Molecular Formula:
C19H19NO4S
Molecular Weight:
357.4235
MDL Number:
MFCD20527971
IUPAC Name:
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C19H19NO4S/c1-14-8-10-17(11-9-14)25(21,22)23-13-12-18-15(2)24-19(20-18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChI Key:
QGNITQXBLBMGSS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCc1nc(oc1C)c1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.424g/mol
Monoisotopic Mass:
357.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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