Home Other Building Blocks 4-DIMETHYLAMINO-3,5-DINITROBENZOIC ACID

4-DIMETHYLAMINO-3,5-DINITROBENZOIC ACID

CAS No.:
82366-55-0
Catalog Number:
AG003LAH
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
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Product Description
Catalog Number:
AG003LAH
Chemical Name:
4-DIMETHYLAMINO-3,5-DINITROBENZOIC ACID
CAS Number:
82366-55-0
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
MDL Number:
MFCD00004448
IUPAC Name:
4-(dimethylamino)-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C9H9N3O6/c1-10(2)8-6(11(15)16)3-5(9(13)14)4-7(8)12(17)18/h3-4H,1-2H3,(H,13,14)
InChI Key:
HPESPZDCCQMDOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1N(C)C)[N+](=O)[O-])C(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties