Home Nitriles 2-tert-butyl-1,3-oxazole-4-carbonitrile

2-tert-butyl-1,3-oxazole-4-carbonitrile

CAS No.:
1515706-87-2
Catalog Number:
AG01BOAS
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
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Product Description
Catalog Number:
AG01BOAS
Chemical Name:
2-tert-butyl-1,3-oxazole-4-carbonitrile
CAS Number:
1515706-87-2
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD30498896
IUPAC Name:
2-tert-butyl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C8H10N2O/c1-8(2,3)7-10-6(4-9)5-11-7/h5H,1-3H3
InChI Key:
JYBIPHZCCNKYPY-UHFFFAOYSA-N
SMILES:
N#Cc1coc(n1)C(C)(C)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties