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54696-03-6 | 2-tert-butyl-1,3-benzoxazole
CAS No: 54696-03-6 Catalog No: AG01C1DE MDL No:MFCD00456711
Product Description
Catalog Number:
AG01C1DE
Chemical Name:
2-tert-butyl-1,3-benzoxazole
CAS Number:
54696-03-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00456711
IUPAC Name:
2-tert-butyl-1,3-benzoxazole
InChI:
InChI=1S/C11H13NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChI Key:
IORNPTDHRCBFER-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(o1)cccc2)(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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