Home Nitriles 3,5-Di-tert-butyl-4-hydroxybenzonitrile

3,5-Di-tert-butyl-4-hydroxybenzonitrile

CAS No.:
1988-88-1
Catalog Number:
AG002BQX
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$156
- +
5g
1 week
United States
$388
- +
10g
1 week
United States
$696
- +
Product Description
Catalog Number:
AG002BQX
Chemical Name:
3,5-Di-tert-butyl-4-hydroxybenzonitrile
CAS Number:
1988-88-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
MDL Number:
MFCD00156137
IUPAC Name:
3,5-ditert-butyl-4-hydroxybenzonitrile
InChI:
InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3
InChI Key:
AKXIIOLURNATOC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NSC Number:
226258
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties