Home Nitros tert-Butyl 2-(4-nitrophenyl)acetate

tert-Butyl 2-(4-nitrophenyl)acetate

CAS No.:
29704-38-9
Catalog Number:
AG00I5I1
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG00I5I1
Chemical Name:
tert-Butyl 2-(4-nitrophenyl)acetate
CAS Number:
29704-38-9
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD24943244
IUPAC Name:
tert-butyl 2-(4-nitrophenyl)acetate
InChI:
InChI=1S/C12H15NO4/c1-12(2,3)17-11(14)8-9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3
InChI Key:
DQXJXWHNSVKMAT-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
NSC Number:
408625
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties