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40874-54-2 | 5-(tert-Butyl)-2-methylbenzoxazole
CAS No: 40874-54-2 Catalog No: AG00345W MDL No:MFCD09027425
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
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