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227029-27-8 | 2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHYL METHANESULFONATE
CAS No: 227029-27-8 Catalog No: AG00BF1H MDL No:
Product Description
Catalog Number:
AG00BF1H
Chemical Name:
2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHYL METHANESULFONATE
CAS Number:
227029-27-8
Molecular Formula:
C13H15NO4S
Molecular Weight:
281.3275
IUPAC Name:
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate
InChI:
InChI=1S/C13H15NO4S/c1-10-12(8-9-17-19(2,15)16)14-13(18-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChI Key:
SIRKPSSXHXSLMR-UHFFFAOYSA-N
SMILES:
Cc1oc(nc1CCOS(=O)(=O)C)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.326g/mol
Monoisotopic Mass:
281.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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