Home Other Building Blocks 5-(tert-Butyl)-2-methylbenzoxazole

5-(tert-Butyl)-2-methylbenzoxazole

CAS No.:
40874-54-2
Catalog Number:
AG00345W
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
≥95%
In Stock USA
United States
$297
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Product Description
Catalog Number:
AG00345W
Chemical Name:
5-(tert-Butyl)-2-methylbenzoxazole
CAS Number:
40874-54-2
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD09027425
IUPAC Name:
5-tert-butyl-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C12H15NO/c1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8/h5-7H,1-4H3
InChI Key:
MMUQIBNMAXABSM-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)cc(cc2)C(C)(C)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties