Home Nitros Ethyl 4-tert-butyl-3-nitrobenzoate

Ethyl 4-tert-butyl-3-nitrobenzoate

CAS No.:
92042-08-5
Catalog Number:
AG00IH0A
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$169
- +
1g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00IH0A
Chemical Name:
Ethyl 4-tert-butyl-3-nitrobenzoate
CAS Number:
92042-08-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD22689092
IUPAC Name:
ethyl 4-tert-butyl-3-nitrobenzoate
InChI:
InChI=1S/C13H17NO4/c1-5-18-12(15)9-6-7-10(13(2,3)4)11(8-9)14(16)17/h6-8H,5H2,1-4H3
InChI Key:
BUSAGWGSTPOYTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties