Home Nitros 4-Tert-butyl-2-nitro-benzoic acid

4-Tert-butyl-2-nitro-benzoic acid

CAS No.:
103797-19-9
Catalog Number:
AG007X47
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG007X47
Chemical Name:
4-Tert-butyl-2-nitro-benzoic acid
CAS Number:
103797-19-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD01463292
IUPAC Name:
4-tert-butyl-2-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)7-4-5-8(10(13)14)9(6-7)12(15)16/h4-6H,1-3H3,(H,13,14)
InChI Key:
WVADEHDXGNQZNV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)C(C)(C)C
NSC Number:
85294
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:
3.1  
Properties