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1048917-53-8 | 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]acetamide
CAS No: 1048917-53-8 Catalog No: AG0090T9 MDL No:MFCD11053046
Product Description
Catalog Number:
AG0090T9
Chemical Name:
2-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]acetamide
CAS Number:
1048917-53-8
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
MDL Number:
MFCD11053046
IUPAC Name:
2-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C13H16N2O2S/c1-13(2,3)8-4-5-10-9(6-8)15-12(17-10)18-7-11(14)16/h4-6H,7H2,1-3H3,(H2,14,16)
InChI Key:
MOUCFWRHGHHKAO-UHFFFAOYSA-N
SMILES:
NC(=O)CSc1nc2c(o1)ccc(c2)C(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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