Home Nitros tert-Butyl 3-nitrobenzoate

tert-Butyl 3-nitrobenzoate

CAS No.:
58656-99-8
Catalog Number:
AG00E9QA
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00E9QA
Chemical Name:
tert-Butyl 3-nitrobenzoate
CAS Number:
58656-99-8
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD02091504
IUPAC Name:
tert-butyl 3-nitrobenzoate
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7H,1-3H3
InChI Key:
SFFFYEGVQDWTNQ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties