Home Other Building Blocks tert-butyl 2-(pyridin-4-yl)benzoate

tert-butyl 2-(pyridin-4-yl)benzoate

CAS No.:
1797927-46-8
Catalog Number:
AG01AG40
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AG40
Chemical Name:
tert-butyl 2-(pyridin-4-yl)benzoate
CAS Number:
1797927-46-8
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
MDL Number:
MFCD27959376
IUPAC Name:
tert-butyl 2-pyridin-4-ylbenzoate
InChI:
InChI=1S/C16H17NO2/c1-16(2,3)19-15(18)14-7-5-4-6-13(14)12-8-10-17-11-9-12/h4-11H,1-3H3
InChI Key:
LUDSZTZQEDIKMA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1c1ccncc1)OC(C)(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties