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Home Nitros 4-tert-Butyl-3,5-dinitrobenzoic acid

4-tert-Butyl-3,5-dinitrobenzoic acid

CAS No.:
67688-82-8
Catalog Number:
AG00FGYG
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00FGYG
Chemical Name:
4-tert-Butyl-3,5-dinitrobenzoic acid
CAS Number:
67688-82-8
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
MDL Number:
MFCD20529168
IUPAC Name:
4-tert-butyl-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C11H12N2O6/c1-11(2,3)9-7(12(16)17)4-6(10(14)15)5-8(9)13(18)19/h4-5H,1-3H3,(H,14,15)
InChI Key:
WHTXLZQPQJAELS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C(C)(C)C)[N+](=O)[O-])C(=O)O
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties