Home Nitros 4-tert-Butyl-3-nitrobenzoic acid

4-tert-Butyl-3-nitrobenzoic acid

CAS No.:
59719-78-7
Catalog Number:
AG00EIUK
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$100
- +
1g
97%
In Stock USA
United States
$282
- +
5g
97%
In Stock USA
United States
$832
- +
10g
97%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG00EIUK
Chemical Name:
4-tert-Butyl-3-nitrobenzoic acid
CAS Number:
59719-78-7
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00100040
IUPAC Name:
4-tert-butyl-3-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12(15)16/h4-6H,1-3H3,(H,13,14)
InChI Key:
QIHHYQWNYKOHEV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(C)(C)C)C(=O)O
Properties
Complexity:
289  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties